CID 22728898

3-fluoro-2-naphthoic acid

Structural Information

Molecular Formula

C₁₁H₇FO₂

SMILES

C1=CC=C2C=C(C(=CC2=C1)C(=O)O)F

InChI

InChI=1S/C11H7FO2/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6H,(H,13,14)

InChIKey

VDXLBIXGGFGMRQ-UHFFFAOYSA-N

Compound name

3-fluoronaphthalene-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 190.04301 Da
Monoisotopic Mass: 2.8
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]+	191.05029	137.3
[M+Na]+	213.03223	150.8
[M+NH4]+	208.07683	145.8
[M+K]+	229.00617	144.2
[M-H]-	189.03573	138.4
[M+Na-2H]-	211.01768	143.9
[M]+	190.04246	139.5
[M]-	190.04356	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe