CID 4874

4-hydroxy-3-methoxybenzenesulfonic acid

Structural Information

Molecular Formula
C7H8O5S
SMILES
COC1=C(C=CC(=C1)S(=O)(=O)O)O
InChI
InChI=1S/C7H8O5S/c1-12-7-4-5(13(9,10)11)2-3-6(7)8/h2-4,8H,1H3,(H,9,10,11)
InChIKey
QDRCGSIKAHSALR-UHFFFAOYSA-N
Compound name
4-hydroxy-3-methoxybenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

1614
Patents

204.00925 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.01653 137.3
[M+Na]+ 226.99847 146.7
[M-H]- 203.00197 139.2
[M+NH4]+ 222.04307 155.6
[M+K]+ 242.97241 144.2
[M+H-H2O]+ 187.00651 132.5
[M+HCOO]- 249.00745 154.0
[M+CH3COO]- 263.02310 175.4
[M+Na-2H]- 224.98392 142.0
[M]+ 204.00870 140.9
[M]- 204.00980 140.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe