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

122
Patents

218.02489 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.03217 141.2
[M+Na]+ 241.01411 150.7
[M-H]- 217.01761 144.5
[M+NH4]+ 236.05871 159.8
[M+K]+ 256.98805 148.9
[M+H-H2O]+ 201.02215 136.0
[M+HCOO]- 263.02309 159.2
[M+CH3COO]- 277.03874 180.9
[M+Na-2H]- 238.99956 145.9
[M]+ 218.02434 147.1
[M]- 218.02544 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