CID 170923

Benzene, dimethylbis(phenylmethyl)-

Structural Information

Molecular Formula
C22H22
SMILES
CC1=C(C(=C(C=C1)CC2=CC=CC=C2)CC3=CC=CC=C3)C
InChI
InChI=1S/C22H22/c1-17-13-14-21(15-19-9-5-3-6-10-19)22(18(17)2)16-20-11-7-4-8-12-20/h3-14H,15-16H2,1-2H3
InChIKey
WSSNQXJVTQOUMV-UHFFFAOYSA-N
Compound name
1,2-dibenzyl-3,4-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

286.17215 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.17943 169.8
[M+Na]+ 309.16137 177.1
[M-H]- 285.16487 179.3
[M+NH4]+ 304.20597 185.4
[M+K]+ 325.13531 170.7
[M+H-H2O]+ 269.16941 160.8
[M+HCOO]- 331.17035 192.7
[M+CH3COO]- 345.18600 181.6
[M+Na-2H]- 307.14682 173.8
[M]+ 286.17160 170.0
[M]- 286.17270 170.0
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