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]+ 301.99516 162.4
[M+Na]+ 323.97710 171.1
[M-H]- 299.98060 166.8
[M+NH4]+ 319.02170 178.6
[M+K]+ 339.95104 165.7
[M+H-H2O]+ 283.98514 155.8
[M+HCOO]- 345.98608 174.9
[M+CH3COO]- 360.00173 195.8
[M+Na-2H]- 321.96255 163.3
[M]+ 300.98733 164.1
[M]- 300.98843 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