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

40
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 139.4
[M+Na]+ 224.98281 150.1
[M+NH4]+ 220.02741 145.6
[M+K]+ 240.95675 145.0
[M-H]- 200.98631 138.1
[M+Na-2H]- 222.96826 143.3
[M]+ 201.99304 140.8
[M]- 201.99414 140.8
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