CID 155970861

3-bromo-2-fluoro-5-sulfamoylbenzoic acid

Structural Information

Molecular Formula
C7H5BrFNO4S
SMILES
C1=C(C=C(C(=C1C(=O)O)F)Br)S(=O)(=O)N
InChI
InChI=1S/C7H5BrFNO4S/c8-5-2-3(15(10,13)14)1-4(6(5)9)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)
InChIKey
GKTVXLSBWDIBAU-UHFFFAOYSA-N
Compound name
3-bromo-2-fluoro-5-sulfamoylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.91068 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.91796 143.2
[M+Na]+ 319.89990 143.5
[M+NH4]+ 314.94450 145.3
[M+K]+ 335.87384 145.5
[M-H]- 295.90340 140.2
[M+Na-2H]- 317.88535 143.9
[M]+ 296.91013 141.3
[M]- 296.91123 141.3
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.