CID 59128736

2-fluoro-4-sulfamoylbenzoic acid

Structural Information

Molecular Formula
C7H6FNO4S
SMILES
C1=CC(=C(C=C1S(=O)(=O)N)F)C(=O)O
InChI
InChI=1S/C7H6FNO4S/c8-6-3-4(14(9,12)13)1-2-5(6)7(10)11/h1-3H,(H,10,11)(H2,9,12,13)
InChIKey
RCMQDKXOHFOYQE-UHFFFAOYSA-N
Compound name
2-fluoro-4-sulfamoylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

219.00015 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.007426 139.4
[M+Na]+ 241.989368 148.5
[M-H]- 217.992874 140.7
[M+NH4]+ 237.033973 157.0
[M+K]+ 257.963308 145.3
[M+H-H2O]+ 201.997410 133.1
[M+HCOO]- 263.998351 155.7
[M+CH3COO]- 278.014001 182.9
[M+Na-2H]- 239.974816 142.1
[M]+ 218.99960142 139.1
[M]- 219.00069858 139.1
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