CID 78190

4445-76-5

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
1
Annotation Hits

0
References

0
Patents

204.00925 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.01653 140.6
[M+Na]+ 226.99847 149.6
[M+NH4]+ 222.04307 146.4
[M+K]+ 242.97241 145.8
[M-H]- 203.00197 138.3
[M+Na-2H]- 224.98392 144.4
[M]+ 204.00870 141.4
[M]- 204.00980 141.4
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

No patent data available for this compound.