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

16
Patents

202.02998 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.03726 138.0
[M+Na]+ 225.01920 146.8
[M-H]- 201.02270 141.1
[M+NH4]+ 220.06380 157.2
[M+K]+ 240.99314 145.1
[M+H-H2O]+ 185.02724 132.5
[M+HCOO]- 247.02818 156.0
[M+CH3COO]- 261.04383 180.0
[M+Na-2H]- 223.00465 140.6
[M]+ 202.02943 143.0
[M]- 202.03053 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