CID 16775984

2,6-difluoro-3-sulfamoylbenzoic acid

Structural Information

Molecular Formula
C7H5F2NO4S
SMILES
C1=CC(=C(C(=C1F)C(=O)O)F)S(=O)(=O)N
InChI
InChI=1S/C7H5F2NO4S/c8-3-1-2-4(15(10,13)14)6(9)5(3)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)
InChIKey
DOICEDZDWRQKRJ-UHFFFAOYSA-N
Compound name
2,6-difluoro-3-sulfamoylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

236.99074 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.998016 141.0
[M+Na]+ 259.979958 150.9
[M-H]- 235.983464 141.1
[M+NH4]+ 255.024563 158.0
[M+K]+ 275.953898 147.3
[M+H-H2O]+ 219.988000 133.9
[M+HCOO]- 281.988941 156.2
[M+CH3COO]- 296.004591 186.9
[M+Na-2H]- 257.965406 142.6
[M]+ 236.99019142 139.9
[M]- 236.99128858 139.9
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