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

38606
Patents

173.99867 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.005946 130.4
[M+Na]+ 196.987888 139.8
[M-H]- 172.991394 132.3
[M+NH4]+ 192.032493 149.9
[M+K]+ 212.961828 136.9
[M+H-H2O]+ 156.995930 125.9
[M+HCOO]- 218.996871 147.4
[M+CH3COO]- 233.012521 169.0
[M+Na-2H]- 194.973336 136.1
[M]+ 173.99812142 131.9
[M]- 173.99921858 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

literature stripe

Patent stripe

patents stripe