CID 350657

2-sulfanylbenzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

4
References

557
Patents

153.02484 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.032116 128.1
[M+Na]+ 176.014058 136.6
[M-H]- 152.017564 131.9
[M+NH4]+ 171.058663 149.3
[M+K]+ 191.987998 133.9
[M+H-H2O]+ 136.022100 122.6
[M+HCOO]- 198.023041 147.6
[M+CH3COO]- 212.038691 176.3
[M+Na-2H]- 173.999506 131.4
[M]+ 153.02429142 128.1
[M]- 153.02538858 128.1
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