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

125
Patents

218.02489 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.032166 141.2
[M+Na]+ 241.014108 150.7
[M-H]- 217.017614 144.5
[M+NH4]+ 236.058713 159.8
[M+K]+ 256.988048 148.9
[M+H-H2O]+ 201.022150 136.0
[M+HCOO]- 263.023091 159.2
[M+CH3COO]- 277.038741 180.9
[M+Na-2H]- 238.999556 145.9
[M]+ 218.02434142 147.1
[M]- 218.02543858 147.1
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