CID 11413428

123065-25-8

Structural Information

Molecular Formula
C8H10O4S
SMILES
COC1=C(C=C(C=C1)S(=O)O)OC
InChI
InChI=1S/C8H10O4S/c1-11-7-4-3-6(13(9)10)5-8(7)12-2/h3-5H,1-2H3,(H,9,10)
InChIKey
JZVNQYGCMQNUEQ-UHFFFAOYSA-N
Compound name
3,4-dimethoxybenzenesulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

202.02998 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.037256 138.0
[M+Na]+ 225.019198 146.8
[M-H]- 201.022704 141.1
[M+NH4]+ 220.063803 157.2
[M+K]+ 240.993138 145.1
[M+H-H2O]+ 185.027240 132.5
[M+HCOO]- 247.028181 156.0
[M+CH3COO]- 261.043831 180.0
[M+Na-2H]- 223.004646 140.6
[M]+ 202.02943142 143.0
[M]- 202.03052858 143.0
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