CID 103574089

Dtxsid901276988

Structural Information

Molecular Formula
C7H8O5S
SMILES
C1=CC(=CC=C1C(O)S(=O)(=O)O)O
InChI
InChI=1S/C7H8O5S/c8-6-3-1-5(2-4-6)7(9)13(10,11)12/h1-4,7-9H,(H,10,11,12)
InChIKey
LWGZZAKSKYNMQO-UHFFFAOYSA-N
Compound name
hydroxy-(4-hydroxyphenyl)methanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.00925 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.016526 138.2
[M+Na]+ 226.998468 146.0
[M-H]- 203.001974 138.3
[M+NH4]+ 222.043073 155.4
[M+K]+ 242.972408 143.1
[M+H-H2O]+ 187.006510 133.4
[M+HCOO]- 249.007451 152.4
[M+CH3COO]- 263.023101 172.7
[M+Na-2H]- 224.983916 142.0
[M]+ 204.00870142 138.9
[M]- 204.00979858 138.9
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

No patent data available for this compound.