CID 89895800

4,5-diamino-2-fluorobenzoic acid

Structural Information

Molecular Formula

C₇H₇FN₂O₂

SMILES

C1=C(C(=CC(=C1N)N)F)C(=O)O

InChI

InChI=1S/C7H7FN2O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,9-10H2,(H,11,12)

InChIKey

VMZYHYPZUMUAPN-UHFFFAOYSA-N

Compound name

4,5-diamino-2-fluorobenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 170.04915 Da
Monoisotopic Mass: 0.2
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]+	171.05643	131.9
[M+Na]+	193.03837	141.4
[M+NH4]+	188.08297	138.3
[M+K]+	209.01231	137.9
[M-H]-	169.04187	132.0
[M+Na-2H]-	191.02382	136.1
[M]+	170.04860	132.8
[M]-	170.04970	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe