CID 6455232

Einecs 266-068-0

Structural Information

Molecular Formula

C₁₉H₁₅ClO

SMILES

C1=CC=C(C=C1)C2=C(C=C(C=C2)C(C3=CC=CC=C3)O)Cl

InChI

InChI=1S/C19H15ClO/c20-18-13-16(19(21)15-9-5-2-6-10-15)11-12-17(18)14-7-3-1-4-8-14/h1-13,19,21H

InChIKey

ZOAVSVRUXVCCES-UHFFFAOYSA-N

Compound name

(3-chloro-4-phenylphenyl)-phenylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 294.08115 Da
Monoisotopic Mass: 5.0
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]+	295.088426	166.7
[M+Na]+	317.070368	174.4
[M-H]-	293.073874	174.9
[M+NH4]+	312.114973	181.7
[M+K]+	333.044308	167.2
[M+H-H2O]+	277.078410	158.9
[M+HCOO]-	339.079351	183.8
[M+CH3COO]-	353.095001	178.1
[M+Na-2H]-	315.055816	170.9
[M]+	294.08060142	167.0
[M]-	294.08169858	167.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe