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]+ 205.01653 138.2
[M+Na]+ 226.99847 146.0
[M-H]- 203.00197 138.3
[M+NH4]+ 222.04307 155.4
[M+K]+ 242.97241 143.1
[M+H-H2O]+ 187.00651 133.4
[M+HCOO]- 249.00745 152.4
[M+CH3COO]- 263.02310 172.7
[M+Na-2H]- 224.98392 142.0
[M]+ 204.00870 138.9
[M]- 204.00980 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.