CID 71756491

3-chloro-2-fluoro-5-sulfamoylbenzoic acid

Structural Information

Molecular Formula
C7H5ClFNO4S
SMILES
C1=C(C=C(C(=C1C(=O)O)F)Cl)S(=O)(=O)N
InChI
InChI=1S/C7H5ClFNO4S/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
ZRANYBQAFZQAAW-UHFFFAOYSA-N
Compound name
3-chloro-2-fluoro-5-sulfamoylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.96118 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.968456 143.5
[M+Na]+ 275.950398 154.0
[M-H]- 251.953904 145.3
[M+NH4]+ 270.995003 160.9
[M+K]+ 291.924338 149.2
[M+H-H2O]+ 235.958440 138.7
[M+HCOO]- 297.959381 155.4
[M+CH3COO]- 311.975031 188.0
[M+Na-2H]- 273.935846 145.4
[M]+ 252.96063142 145.6
[M]- 252.96172858 145.6
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.