CID 4157782

Tri(p-tolyl)methane

Structural Information

Molecular Formula
C22H22
SMILES
CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)C3=CC=C(C=C3)C
InChI
InChI=1S/C22H22/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21/h4-15,22H,1-3H3
InChIKey
WYGIWVCWYKSYOE-UHFFFAOYSA-N
Compound name
1-[bis(4-methylphenyl)methyl]-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1127
Patents

286.17215 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.17943 169.6
[M+Na]+ 309.16137 176.6
[M-H]- 285.16487 179.2
[M+NH4]+ 304.20597 185.1
[M+K]+ 325.13531 170.7
[M+H-H2O]+ 269.16941 160.7
[M+HCOO]- 331.17035 191.5
[M+CH3COO]- 345.18600 181.3
[M+Na-2H]- 307.14682 172.4
[M]+ 286.17160 169.2
[M]- 286.17270 169.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe