CID 105960

Phenylditolylmethane

Structural Information

Molecular Formula

C₂₁H₂₀

SMILES

CC1=CC=CC=C1C(C2=CC=CC=C2)C3=CC=CC=C3C

InChI

InChI=1S/C21H20/c1-16-10-6-8-14-19(16)21(18-12-4-3-5-13-18)20-15-9-7-11-17(20)2/h3-15,21H,1-2H3

InChIKey

FXEMFMZCJUUOPF-UHFFFAOYSA-N

Compound name

1-methyl-2-[(2-methylphenyl)-phenylmethyl]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 272.1565 Da
Monoisotopic Mass: 6.0
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]+	273.16378	167.0
[M+Na]+	295.14572	185.1
[M+NH4]+	290.19032	177.7
[M+K]+	311.11966	174.2
[M-H]-	271.14922	175.8
[M+Na-2H]-	293.13117	180.4
[M]+	272.15595	172.6
[M]-	272.15705	172.6

Literature stripe

literature stripe

Patent stripe

patents stripe