CID 5275177

2-(2-bromophenyl)sulfanyl-n-(2-chlorophenyl)acetamide

Structural Information

Molecular Formula
C14H11BrClNOS
SMILES
C1=CC=C(C(=C1)NC(=O)CSC2=CC=CC=C2Br)Cl
InChI
InChI=1S/C14H11BrClNOS/c15-10-5-1-4-8-13(10)19-9-14(18)17-12-7-3-2-6-11(12)16/h1-8H,9H2,(H,17,18)
InChIKey
GBPSUJODBHNOPL-UHFFFAOYSA-N
Compound name
2-(2-bromophenyl)sulfanyl-N-(2-chlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

354.94333 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.95061 160.5
[M+Na]+ 377.93255 172.5
[M-H]- 353.93605 169.9
[M+NH4]+ 372.97715 178.7
[M+K]+ 393.90649 157.6
[M+H-H2O]+ 337.94059 160.5
[M+HCOO]- 399.94153 173.7
[M+CH3COO]- 413.95718 206.6
[M+Na-2H]- 375.91800 165.2
[M]+ 354.94278 182.6
[M]- 354.94388 182.6
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

patents stripe