CID 22351612

4-mercaptobenzamide

Structural Information

Molecular Formula
C7H7NOS
SMILES
C1=CC(=CC=C1C(=O)N)S
InChI
InChI=1S/C7H7NOS/c8-7(9)5-1-3-6(10)4-2-5/h1-4,10H,(H2,8,9)
InChIKey
CTOUXQDUYJORQK-UHFFFAOYSA-N
Compound name
4-sulfanylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

318
Patents

153.02484 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.03212 129.0
[M+Na]+ 176.01406 140.7
[M+NH4]+ 171.05866 138.2
[M+K]+ 191.98800 133.2
[M-H]- 152.01756 131.8
[M+Na-2H]- 173.99951 135.5
[M]+ 153.02429 131.8
[M]- 153.02539 131.8
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