CID 81697

Benzenecarbothioic acid, 2-hydroxy-

Structural Information

Molecular Formula
C7H6O2S
SMILES
C1=CC=C(C(=C1)C(=O)S)O
InChI
InChI=1S/C7H6O2S/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
InChIKey
IUXNWFUQIHHJRP-UHFFFAOYSA-N
Compound name
2-hydroxybenzenecarbothioic S-acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

10696
Patents

154.00885 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.016126 127.1
[M+Na]+ 176.998068 135.9
[M-H]- 153.001574 130.2
[M+NH4]+ 172.042673 148.2
[M+K]+ 192.972008 133.5
[M+H-H2O]+ 137.006110 122.2
[M+HCOO]- 199.007051 145.1
[M+CH3COO]- 213.022701 171.6
[M+Na-2H]- 174.983516 130.7
[M]+ 154.00830142 128.5
[M]- 154.00939858 128.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.