CID 53376

3-biphenylacetic acid, 5-chloro-

Structural Information

Molecular Formula

C₁₄H₁₁ClO₂

SMILES

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

InChI

InChI=1S/C14H11ClO2/c15-13-7-10(8-14(16)17)6-12(9-13)11-4-2-1-3-5-11/h1-7,9H,8H2,(H,16,17)

InChIKey

RZLRSTFBXAMFJV-UHFFFAOYSA-N

Compound name

2-(3-chloro-5-phenylphenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 246.04475 Da
Monoisotopic Mass: 3.6
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]+	247.052026	151.2
[M+Na]+	269.033968	160.1
[M-H]-	245.037474	156.9
[M+NH4]+	264.078573	168.7
[M+K]+	285.007908	154.5
[M+H-H2O]+	229.042010	145.3
[M+HCOO]-	291.042951	169.2
[M+CH3COO]-	305.058601	189.6
[M+Na-2H]-	267.019416	155.8
[M]+	246.04420142	153.0
[M]-	246.04529858	153.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.