CID 53387

75852-62-9

Structural Information

Molecular Formula

C₁₄H₁₀ClFO₂

SMILES

C1=CC(=CC=C1C2=CC(=CC(=C2)CC(=O)O)F)Cl

InChI

InChI=1S/C14H10ClFO2/c15-12-3-1-10(2-4-12)11-5-9(7-14(17)18)6-13(16)8-11/h1-6,8H,7H2,(H,17,18)

InChIKey

FSIYMCRJTJQYEW-UHFFFAOYSA-N

Compound name

2-[3-(4-chlorophenyl)-5-fluorophenyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 264.03534 Da
Monoisotopic Mass: 3.7
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]+	265.04262	153.2
[M+Na]+	287.02456	163.1
[M-H]-	263.02806	157.9
[M+NH4]+	282.06916	170.3
[M+K]+	302.99850	157.1
[M+H-H2O]+	247.03260	146.5
[M+HCOO]-	309.03354	170.2
[M+CH3COO]-	323.04919	193.4
[M+Na-2H]-	285.01001	156.6
[M]+	264.03479	154.4
[M]-	264.03589	154.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.