CID 21072

Bis(2,4,5-trimethylphenyl)methane

Structural Information

Molecular Formula
C19H24
SMILES
CC1=CC(=C(C=C1C)CC2=C(C=C(C(=C2)C)C)C)C
InChI
InChI=1S/C19H24/c1-12-7-16(5)18(9-14(12)3)11-19-10-15(4)13(2)8-17(19)6/h7-10H,11H2,1-6H3
InChIKey
RYRHSRXGIHUJNJ-UHFFFAOYSA-N
Compound name
1,2,4-trimethyl-5-[(2,4,5-trimethylphenyl)methyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

252.1878 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.19508 158.6
[M+Na]+ 275.17702 168.9
[M-H]- 251.18052 166.5
[M+NH4]+ 270.22162 177.4
[M+K]+ 291.15096 164.1
[M+H-H2O]+ 235.18506 152.0
[M+HCOO]- 297.18600 181.4
[M+CH3COO]- 311.20165 204.1
[M+Na-2H]- 273.16247 160.0
[M]+ 252.18725 162.0
[M]- 252.18835 162.0
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