CID 1296992

2-[(4-chlorophenyl)sulfanyl]-n-[4-(trifluoromethoxy)phenyl]acetamide

Structural Information

Molecular Formula
C15H11ClF3NO2S
SMILES
C1=CC(=CC=C1NC(=O)CSC2=CC=C(C=C2)Cl)OC(F)(F)F
InChI
InChI=1S/C15H11ClF3NO2S/c16-10-1-7-13(8-2-10)23-9-14(21)20-11-3-5-12(6-4-11)22-15(17,18)19/h1-8H,9H2,(H,20,21)
InChIKey
QXXJIPSLNBZCMO-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.0151 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.02238 173.7
[M+Na]+ 384.00432 182.1
[M-H]- 360.00782 176.5
[M+NH4]+ 379.04892 187.4
[M+K]+ 399.97826 175.4
[M+H-H2O]+ 344.01236 164.3
[M+HCOO]- 406.01330 184.0
[M+CH3COO]- 420.02895 210.7
[M+Na-2H]- 381.98977 175.1
[M]+ 361.01455 175.3
[M]- 361.01565 175.3
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.