CID 19876

2,4,6-trimethylbiphenyl

Structural Information

Molecular Formula
C15H16
SMILES
CC1=CC(=C(C(=C1)C)C2=CC=CC=C2)C
InChI
InChI=1S/C15H16/c1-11-9-12(2)15(13(3)10-11)14-7-5-4-6-8-14/h4-10H,1-3H3
InChIKey
CDKUYUULLQLNFF-UHFFFAOYSA-N
Compound name
1,3,5-trimethyl-2-phenylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

123
Patents

196.1252 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.13248 142.3
[M+Na]+ 219.11442 151.5
[M-H]- 195.11792 149.8
[M+NH4]+ 214.15902 162.4
[M+K]+ 235.08836 147.5
[M+H-H2O]+ 179.12246 135.8
[M+HCOO]- 241.12340 166.5
[M+CH3COO]- 255.13905 188.5
[M+Na-2H]- 217.09987 148.0
[M]+ 196.12465 143.0
[M]- 196.12575 143.0
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