CID 159379

Benzenesulfonic acid, hydroxymethoxy-, monopotassium salt

Structural Information

Molecular Formula
C7H8O5S
SMILES
C1=CC=C(C(=C1)OCO)S(=O)(=O)O
InChI
InChI=1S/C7H8O5S/c8-5-12-6-3-1-2-4-7(6)13(9,10)11/h1-4,8H,5H2,(H,9,10,11)
InChIKey
GUAPLPVVNZYPSJ-UHFFFAOYSA-N
Compound name
2-(hydroxymethoxy)benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

9
Patents

204.00925 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.01653 139.7
[M+Na]+ 226.99847 150.0
[M+NH4]+ 222.04307 146.1
[M+K]+ 242.97241 144.8
[M-H]- 203.00197 138.6
[M+Na-2H]- 224.98392 144.0
[M]+ 204.00870 141.1
[M]- 204.00980 141.1
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