CID 20553698

30170-10-6

Structural Information

Molecular Formula

C₇H₇FN₂O₄S

SMILES

C1=C(C(=CC(=C1S(=O)(=O)N)F)N)C(=O)O

InChI

InChI=1S/C7H7FN2O4S/c8-4-2-5(9)3(7(11)12)1-6(4)15(10,13)14/h1-2H,9H2,(H,11,12)(H2,10,13,14)

InChIKey

PJDIPBCGHBMOHK-UHFFFAOYSA-N

Compound name

2-amino-4-fluoro-5-sulfamoylbenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 234.01106 Da
Monoisotopic Mass: 0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	235.01834	143.3
[M+Na]+	257.00028	152.2
[M-H]-	233.00378	144.1
[M+NH4]+	252.04488	159.8
[M+K]+	272.97422	148.6
[M+H-H2O]+	217.00832	136.7
[M+HCOO]-	279.00926	159.8
[M+CH3COO]-	293.02491	189.0
[M+Na-2H]-	254.98573	144.8
[M]+	234.01051	141.5
[M]-	234.01161	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe