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

79
Patents

219.00015 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.00743 139.4
[M+Na]+ 241.98937 148.5
[M-H]- 217.99287 140.7
[M+NH4]+ 237.03397 157.0
[M+K]+ 257.96331 145.3
[M+H-H2O]+ 201.99741 133.1
[M+HCOO]- 263.99835 155.7
[M+CH3COO]- 278.01400 182.9
[M+Na-2H]- 239.97482 142.1
[M]+ 218.99960 139.1
[M]- 219.00070 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