CID 112931

5-formyl-2-hydroxybenzenesulfonic acid

Structural Information

Molecular Formula
C7H6O5S
SMILES
C1=CC(=C(C=C1C=O)S(=O)(=O)O)O
InChI
InChI=1S/C7H6O5S/c8-4-5-1-2-6(9)7(3-5)13(10,11)12/h1-4,9H,(H,10,11,12)
InChIKey
UHYRCTRGSKIWNH-UHFFFAOYSA-N
Compound name
5-formyl-2-hydroxybenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

44
Patents

201.99359 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.00087 136.3
[M+Na]+ 224.98281 146.1
[M-H]- 200.98631 138.2
[M+NH4]+ 220.02741 154.6
[M+K]+ 240.95675 142.9
[M+H-H2O]+ 184.99085 131.6
[M+HCOO]- 246.99179 153.2
[M+CH3COO]- 261.00744 174.6
[M+Na-2H]- 222.96826 141.0
[M]+ 201.99304 139.2
[M]- 201.99414 139.2
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

patents stripe