CID 2759343

3-hydroxybenzene-1-carbothioamide

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

62
Patents

153.02484 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.032116 128.5
[M+Na]+ 176.014058 136.5
[M-H]- 152.017564 130.9
[M+NH4]+ 171.058663 148.9
[M+K]+ 191.987998 132.9
[M+H-H2O]+ 136.022100 123.2
[M+HCOO]- 198.023041 146.5
[M+CH3COO]- 212.038691 173.8
[M+Na-2H]- 173.999506 131.4
[M]+ 153.02429142 126.6
[M]- 153.02538858 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