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]+ 253.96846 143.5
[M+Na]+ 275.95040 154.0
[M-H]- 251.95390 145.3
[M+NH4]+ 270.99500 160.9
[M+K]+ 291.92434 149.2
[M+H-H2O]+ 235.95844 138.7
[M+HCOO]- 297.95938 155.4
[M+CH3COO]- 311.97503 188.0
[M+Na-2H]- 273.93585 145.4
[M]+ 252.96063 145.6
[M]- 252.96173 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.