CID 53375

75852-50-5

Structural Information

Molecular Formula

C₁₄H₁₁ClO₂

SMILES

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

InChI

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

InChIKey

CEPDBVZDEVXUID-UHFFFAOYSA-N

Compound name

2-[3-(4-chlorophenyl)phenyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 10
Patents: 246.04475 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]+	247.05203	151.2
[M+Na]+	269.03397	160.1
[M-H]-	245.03747	156.9
[M+NH4]+	264.07857	168.7
[M+K]+	285.00791	154.5
[M+H-H2O]+	229.04201	145.3
[M+HCOO]-	291.04295	169.2
[M+CH3COO]-	305.05860	189.6
[M+Na-2H]-	267.01942	155.8
[M]+	246.04420	153.0
[M]-	246.04530	153.0

Literature stripe

literature stripe

Patent stripe

patents stripe