CID 2492684

2-fluoro-5-sulfamoylbenzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

6
References

78
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

literature stripe

Patent stripe

patents stripe