N-[2-(Trifluoromethyl)phenyl]pyrrolidine-1-carbothioamide

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Systematic / IUPAC Name: N-[2-(Trifluoromethyl)phenyl]-1-pyrrolidinecarbothioamide

ID: Reference4765

Other Names: 1-Pyrrolidinecarbothioamide, N-[2-(trifluoromethyl)phenyl]-

Formula: C12H13F3N2S

Spectral Data

N-[2-(Trifluoromethyl)phenyl]pyrrolidine-1-carbothioamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 5/10/2016 11:22:48 AM
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Identificators

InChI InChI=1S/C12H13F3N2S/c13-12(14,15)9-5-1-2-6-10(9)16-11(18)17-7-3-4-8-17/h1-2,5-6H,3-4,7-8H2,(H,16,18)
InChI Key WLPKGSZZSZBCMM-UHFFFAOYSA-N
Canonical SMILES C1CCN(C1)C(=S)NC2=CC=CC=C2C(F)(F)F
CAS
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Other Names 1-Pyrrolidinecarbothioamide, N-[2-(trifluoromethyl)phenyl]-

In Other Databases

ChemSpider 2022291
PubChem 2740705
ChEMBL CHEMBL1461876