CID 10382

2-mercaptoacetanilide

Structural Information

Molecular Formula
C8H9NOS
SMILES
C1=CC=C(C=C1)NC(=O)CS
InChI
InChI=1S/C8H9NOS/c10-8(6-11)9-7-4-2-1-3-5-7/h1-5,11H,6H2,(H,9,10)
InChIKey
DLVKRCGYGJZXFK-UHFFFAOYSA-N
Compound name
N-phenyl-2-sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

12
References

138
Patents

167.04048 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.04776 132.8
[M+Na]+ 190.02970 140.0
[M-H]- 166.03320 136.7
[M+NH4]+ 185.07430 153.5
[M+K]+ 206.00364 137.5
[M+H-H2O]+ 150.03774 126.8
[M+HCOO]- 212.03868 152.7
[M+CH3COO]- 226.05433 178.2
[M+Na-2H]- 188.01515 137.3
[M]+ 167.03993 133.7
[M]- 167.04103 133.7
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

patents stripe