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 142.3
[M+Na]+ 319.89990 155.0
[M-H]- 295.90340 146.3
[M+NH4]+ 314.94450 160.6
[M+K]+ 335.87384 142.3
[M+H-H2O]+ 279.90794 141.3
[M+HCOO]- 341.90888 156.4
[M+CH3COO]- 355.92453 193.9
[M+Na-2H]- 317.88535 146.2
[M]+ 296.91013 160.7
[M]- 296.91123 160.7
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.