CID 12217414

7134-12-5

Structural Information

Molecular Formula

C₈H₁₀O₅S

SMILES

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

InChI

InChI=1S/C8H10O5S/c1-12-7-4-3-6(14(9,10)11)5-8(7)13-2/h3-5H,1-2H3,(H,9,10,11)

InChIKey

DTUGFHFJKMJXSO-UHFFFAOYSA-N

Compound name

3,4-dimethoxybenzenesulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 100
Patents: 218.02489 Da
Monoisotopic Mass: 0.8
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	144.0
[M+Na]+	241.01411	155.0
[M+NH4]+	236.05871	150.6
[M+K]+	256.98805	149.5
[M-H]-	217.01761	143.5
[M+Na-2H]-	238.99956	148.4
[M]+	218.02434	145.7
[M]-	218.02544	145.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe