CID 670582

271798-63-1

Structural Information

Molecular Formula
C16H13F3N2OS
SMILES
C1=CC=C(C=C1)CNC(=S)C(=O)NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C16H13F3N2OS/c17-16(18,19)12-7-4-8-13(9-12)21-14(22)15(23)20-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,20,23)(H,21,22)
InChIKey
GUGJLVSDFGWLCE-UHFFFAOYSA-N
Compound name
2-(benzylamino)-2-sulfanylidene-N-[3-(trifluoromethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

338.07007 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.07735 173.1
[M+Na]+ 361.05929 179.0
[M-H]- 337.06279 175.4
[M+NH4]+ 356.10389 186.2
[M+K]+ 377.03323 172.8
[M+H-H2O]+ 321.06733 162.6
[M+HCOO]- 383.06827 187.4
[M+CH3COO]- 397.08392 210.5
[M+Na-2H]- 359.04474 174.4
[M]+ 338.06952 168.8
[M]- 338.07062 168.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.