CID 15634633

Benzene, ((methylphenyl)methyl)(phenylmethyl)-

Structural Information

Molecular Formula
C21H20
SMILES
CC1=CC=CC=C1CC2=CC=CC=C2CC3=CC=CC=C3
InChI
InChI=1S/C21H20/c1-17-9-5-6-12-19(17)16-21-14-8-7-13-20(21)15-18-10-3-2-4-11-18/h2-14H,15-16H2,1H3
InChIKey
SMOZJCPUZPHHKQ-UHFFFAOYSA-N
Compound name
1-benzyl-2-[(2-methylphenyl)methyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

272.1565 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.16378 167.2
[M+Na]+ 295.14572 185.7
[M+NH4]+ 290.19032 178.1
[M+K]+ 311.11966 174.0
[M-H]- 271.14922 176.2
[M+Na-2H]- 293.13117 180.9
[M]+ 272.15595 172.9
[M]- 272.15705 172.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe