CID 2782686

1841-58-3

Structural Information

Molecular Formula

C₁₃H₉FO₂

SMILES

C1=CC(=CC(=C1)F)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H9FO2/c14-12-3-1-2-11(8-12)9-4-6-10(7-5-9)13(15)16/h1-8H,(H,15,16)

InChIKey

SJIIGBFXZWSXJP-UHFFFAOYSA-N

Compound name

4-(3-fluorophenyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 77
Patents: 216.05865 Da
Monoisotopic Mass: 3.2
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]+	217.06593	146.5
[M+Na]+	239.04787	160.6
[M+NH4]+	234.09247	154.7
[M+K]+	255.02181	153.6
[M-H]-	215.05137	149.3
[M+Na-2H]-	237.03332	155.2
[M]+	216.05810	149.3
[M]-	216.05920	149.3

Literature stripe

literature stripe

Patent stripe

patents stripe