CID 78190

Benzenemethanesulfonic acid, alpha,2-dihydroxy-, sodium salt (1:1)

Structural Information

Molecular Formula
C7H8O5S
SMILES
C1=CC=C(C=C1)C(O)(O)S(=O)(=O)O
InChI
InChI=1S/C7H8O5S/c8-7(9,13(10,11)12)6-4-2-1-3-5-6/h1-5,8-9H,(H,10,11,12)
InChIKey
FUVPHQDHOVMRRW-UHFFFAOYSA-N
Compound name
dihydroxy(phenyl)methanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

204.00925 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.016526 139.5
[M+Na]+ 226.998468 147.1
[M-H]- 203.001974 139.4
[M+NH4]+ 222.043073 156.5
[M+K]+ 242.972408 144.1
[M+H-H2O]+ 187.006510 135.0
[M+HCOO]- 249.007451 153.2
[M+CH3COO]- 263.023101 171.0
[M+Na-2H]- 224.983916 146.0
[M]+ 204.00870142 139.9
[M]- 204.00979858 139.9
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

patents stripe