CID 421945

Sodium ar-hydroxytoluene-alpha-sulphonate

Structural Information

Molecular Formula
C7H8O4S
SMILES
C1=CC=C(C(=C1)CS(=O)(=O)O)O
InChI
InChI=1S/C7H8O4S/c8-7-4-2-1-3-6(7)5-12(9,10)11/h1-4,8H,5H2,(H,9,10,11)
InChIKey
DHKIVCMLYUCALN-UHFFFAOYSA-N
Compound name
(2-hydroxyphenyl)methanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

255
Patents

188.01433 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.021606 134.9
[M+Na]+ 211.003548 143.8
[M-H]- 187.007054 136.6
[M+NH4]+ 206.048153 153.8
[M+K]+ 226.977488 140.7
[M+H-H2O]+ 171.011590 130.2
[M+HCOO]- 233.012531 151.5
[M+CH3COO]- 247.028181 172.0
[M+Na-2H]- 208.988996 140.1
[M]+ 188.01378142 136.7
[M]- 188.01487858 136.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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