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

6
Patents

236.99074 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.99802 141.0
[M+Na]+ 259.97996 150.9
[M-H]- 235.98346 141.1
[M+NH4]+ 255.02456 158.0
[M+K]+ 275.95390 147.3
[M+H-H2O]+ 219.98800 133.9
[M+HCOO]- 281.98894 156.2
[M+CH3COO]- 296.00459 186.9
[M+Na-2H]- 257.96541 142.6
[M]+ 236.99019 139.9
[M]- 236.99129 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