CID 11867

2-hydroxybenzenesulfonic acid

Structural Information

Molecular Formula
C6H6O4S
SMILES
C1=CC=C(C(=C1)O)S(=O)(=O)O
InChI
InChI=1S/C6H6O4S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4,7H,(H,8,9,10)
InChIKey
IULJSGIJJZZUMF-UHFFFAOYSA-N
Compound name
2-hydroxybenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

38422
Patents

173.99867 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.00595 130.4
[M+Na]+ 196.98789 139.8
[M-H]- 172.99139 132.3
[M+NH4]+ 192.03249 149.9
[M+K]+ 212.96183 136.9
[M+H-H2O]+ 156.99593 125.9
[M+HCOO]- 218.99687 147.4
[M+CH3COO]- 233.01252 169.0
[M+Na-2H]- 194.97334 136.1
[M]+ 173.99812 131.9
[M]- 173.99922 131.9
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.