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: 300
Patents: 196.1252 Da
Monoisotopic Mass: 4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	197.132476	142.3
[M+Na]+	219.114418	151.5
[M-H]-	195.117924	149.8
[M+NH4]+	214.159023	162.4
[M+K]+	235.088358	147.5
[M+H-H2O]+	179.122460	135.8
[M+HCOO]-	241.123401	166.5
[M+CH3COO]-	255.139051	188.5
[M+Na-2H]-	217.099866	148.0
[M]+	196.12465142	143.0
[M]-	196.12574858	143.0

Literature stripe

literature stripe

Patent stripe

patents stripe