CID 17221149

3-[(4-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid

Structural Information

Molecular Formula
C11H8FNO4S2
SMILES
C1=CC(=CC=C1NS(=O)(=O)C2=C(SC=C2)C(=O)O)F
InChI
InChI=1S/C11H8FNO4S2/c12-7-1-3-8(4-2-7)13-19(16,17)9-5-6-18-10(9)11(14)15/h1-6,13H,(H,14,15)
InChIKey
JFKISMOGRQMUSC-UHFFFAOYSA-N
Compound name
3-[(4-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

300.98788 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.995156 162.4
[M+Na]+ 323.977098 171.1
[M-H]- 299.980604 166.8
[M+NH4]+ 319.021703 178.6
[M+K]+ 339.951038 165.7
[M+H-H2O]+ 283.985140 155.8
[M+HCOO]- 345.986081 174.9
[M+CH3COO]- 360.001731 195.8
[M+Na-2H]- 321.962546 163.3
[M]+ 300.98733142 164.1
[M]- 300.98842858 164.1
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