CID 138008020

3,4-dimethoxy-5-sulfamoylthiophene-2-carboxylic acid

Structural Information

Molecular Formula
C7H9NO6S2
SMILES
COC1=C(SC(=C1OC)S(=O)(=O)N)C(=O)O
InChI
InChI=1S/C7H9NO6S2/c1-13-3-4(14-2)7(16(8,11)12)15-5(3)6(9)10/h1-2H3,(H,9,10)(H2,8,11,12)
InChIKey
OZORAJJZNXBTLC-UHFFFAOYSA-N
Compound name
3,4-dimethoxy-5-sulfamoylthiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.98712 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.99440 153.7
[M+Na]+ 289.97634 162.3
[M-H]- 265.97984 155.8
[M+NH4]+ 285.02094 171.0
[M+K]+ 305.95028 159.2
[M+H-H2O]+ 249.98438 148.6
[M+HCOO]- 311.98532 166.1
[M+CH3COO]- 326.00097 190.7
[M+Na-2H]- 287.96179 153.4
[M]+ 266.98657 159.1
[M]- 266.98767 159.1
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

No patent data available for this compound.