CID 10149049

30346-73-7

Structural Information

Molecular Formula
C8H10O3S
SMILES
CC1=CC=C(C=C1)CS(=O)(=O)O
InChI
InChI=1S/C8H10O3S/c1-7-2-4-8(5-3-7)6-12(9,10)11/h2-5H,6H2,1H3,(H,9,10,11)
InChIKey
VYUKAAZJZMQJGE-UHFFFAOYSA-N
Compound name
(4-methylphenyl)methanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

771
Patents

186.03506 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.04234 135.6
[M+Na]+ 209.02428 144.7
[M-H]- 185.02778 138.6
[M+NH4]+ 204.06888 155.4
[M+K]+ 224.99822 141.8
[M+H-H2O]+ 169.03232 130.7
[M+HCOO]- 231.03326 153.2
[M+CH3COO]- 245.04891 175.4
[M+Na-2H]- 207.00973 140.6
[M]+ 186.03451 138.2
[M]- 186.03561 138.2
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

patents stripe