CID 3868975

2-[(4-chlorophenyl)sulfanyl]-n-(2,4,5-trifluorophenyl)acetamide

Structural Information

Molecular Formula
C14H9ClF3NOS
SMILES
C1=CC(=CC=C1SCC(=O)NC2=CC(=C(C=C2F)F)F)Cl
InChI
InChI=1S/C14H9ClF3NOS/c15-8-1-3-9(4-2-8)21-7-14(20)19-13-6-11(17)10(16)5-12(13)18/h1-6H,7H2,(H,19,20)
InChIKey
YEWORDTXPZHRKL-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)sulfanyl-N-(2,4,5-trifluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.00455 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.01183 164.6
[M+Na]+ 353.99377 175.0
[M-H]- 329.99727 168.0
[M+NH4]+ 349.03837 180.0
[M+K]+ 369.96771 167.4
[M+H-H2O]+ 314.00181 155.7
[M+HCOO]- 376.00275 176.4
[M+CH3COO]- 390.01840 208.3
[M+Na-2H]- 351.97922 164.2
[M]+ 331.00400 165.9
[M]- 331.00510 165.9
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.