CID 101542

81-12-9

Structural Information

Molecular Formula

C₈H₁₀O₅S

SMILES

COC1=CC=C(C=C1)C(O)S(=O)(=O)O

InChI

InChI=1S/C8H10O5S/c1-13-7-4-2-6(3-5-7)8(9)14(10,11)12/h2-5,8-9H,1H3,(H,10,11,12)

InChIKey

NDMUEXKPRHMWRH-UHFFFAOYSA-N

Compound name

hydroxy-(4-methoxyphenyl)methanesulfonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 37
Patents: 218.02489 Da
Monoisotopic Mass: 0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	219.03217	143.8
[M+Na]+	241.01411	153.5
[M+NH4]+	236.05871	149.9
[M+K]+	256.98805	148.9
[M-H]-	217.01761	142.4
[M+Na-2H]-	238.99956	147.5
[M]+	218.02434	144.9
[M]-	218.02544	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe