CID 2783298

2-((4-aminophenyl)thio)-n-(4-(trifluoromethoxy)phenyl)acetamide

Structural Information

Molecular Formula
C15H13F3N2O2S
SMILES
C1=CC(=CC=C1N)SCC(=O)NC2=CC=C(C=C2)OC(F)(F)F
InChI
InChI=1S/C15H13F3N2O2S/c16-15(17,18)22-12-5-3-11(4-6-12)20-14(21)9-23-13-7-1-10(19)2-8-13/h1-8H,9,19H2,(H,20,21)
InChIKey
ABMSHGUHYVPGLO-UHFFFAOYSA-N
Compound name
2-(4-aminophenyl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.06497 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.07225 172.7
[M+Na]+ 365.05419 179.5
[M-H]- 341.05769 174.8
[M+NH4]+ 360.09879 185.5
[M+K]+ 381.02813 173.9
[M+H-H2O]+ 325.06223 162.1
[M+HCOO]- 387.06317 187.7
[M+CH3COO]- 401.07882 211.6
[M+Na-2H]- 363.03964 174.1
[M]+ 342.06442 170.2
[M]- 342.06552 170.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.