CID 2759343

3-hydroxythiobenzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

153.02484 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.03212 129.1
[M+Na]+ 176.01406 140.3
[M+NH4]+ 171.05866 138.0
[M+K]+ 191.98800 133.1
[M-H]- 152.01756 131.4
[M+Na-2H]- 173.99951 135.0
[M]+ 153.02429 131.6
[M]- 153.02539 131.6
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