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
3
Annotation Hits

0
References

90
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 165.4
[M+Na]+ 295.14572 172.3
[M-H]- 271.14922 174.7
[M+NH4]+ 290.19032 181.3
[M+K]+ 311.11966 166.0
[M+H-H2O]+ 255.15376 156.4
[M+HCOO]- 317.15470 188.7
[M+CH3COO]- 331.17035 177.3
[M+Na-2H]- 293.13117 170.7
[M]+ 272.15595 164.9
[M]- 272.15705 164.9
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