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
3
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]+ 203.000866 136.3
[M+Na]+ 224.982808 146.1
[M-H]- 200.986314 138.2
[M+NH4]+ 220.027413 154.6
[M+K]+ 240.956748 142.9
[M+H-H2O]+ 184.990850 131.6
[M+HCOO]- 246.991791 153.2
[M+CH3COO]- 261.007441 174.6
[M+Na-2H]- 222.968256 141.0
[M]+ 201.99304142 139.2
[M]- 201.99413858 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