CID 2759344

4-hydroxythiobenzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

8
References

390
Patents

153.02484 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.03212 128.5
[M+Na]+ 176.01406 136.5
[M-H]- 152.01756 130.9
[M+NH4]+ 171.05866 148.9
[M+K]+ 191.98800 132.9
[M+H-H2O]+ 136.02210 123.2
[M+HCOO]- 198.02304 146.5
[M+CH3COO]- 212.03869 173.8
[M+Na-2H]- 173.99951 131.4
[M]+ 153.02429 126.6
[M]- 153.02539 126.6
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