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 172.9
[M+Na]+ 361.05929 180.6
[M+NH4]+ 356.10389 177.9
[M+K]+ 377.03323 173.5
[M-H]- 337.06279 172.4
[M+Na-2H]- 359.04474 178.4
[M]+ 338.06952 173.9
[M]- 338.07062 173.9
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.