CID 684842

4-fluoro-3-sulfamoylbenzoic acid

Structural Information

Molecular Formula
C7H6FNO4S
SMILES
C1=CC(=C(C=C1C(=O)O)S(=O)(=O)N)F
InChI
InChI=1S/C7H6FNO4S/c8-5-2-1-4(7(10)11)3-6(5)14(9,12)13/h1-3H,(H,10,11)(H2,9,12,13)
InChIKey
NGBMRUQCUCRKQN-UHFFFAOYSA-N
Compound name
4-fluoro-3-sulfamoylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

62
Patents

219.00015 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.00743 142.8
[M+Na]+ 241.98937 151.4
[M+NH4]+ 237.03397 148.1
[M+K]+ 257.96331 147.1
[M-H]- 217.99287 140.7
[M+Na-2H]- 239.97482 145.8
[M]+ 218.99960 143.4
[M]- 219.00070 143.4
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