CID 16204503

Diisopropyl-1,1'-biphenyl

Structural Information

Molecular Formula

C₁₈H₂₂

SMILES

CC(C)C1=CC=CC(=C1C(C)C)C2=CC=CC=C2

InChI

InChI=1S/C18H22/c1-13(2)16-11-8-12-17(18(16)14(3)4)15-9-6-5-7-10-15/h5-14H,1-4H3

InChIKey

AMBHHSBRXZAGDZ-UHFFFAOYSA-N

Compound name

1-phenyl-2,3-di(propan-2-yl)benzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1114
Patents: 238.17215 Da
Monoisotopic Mass: 5.8
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]+	239.17943	157.0
[M+Na]+	261.16137	163.3
[M-H]-	237.16487	163.6
[M+NH4]+	256.20597	174.8
[M+K]+	277.13531	159.5
[M+H-H2O]+	221.16941	149.8
[M+HCOO]-	283.17035	178.1
[M+CH3COO]-	297.18600	198.1
[M+Na-2H]-	259.14682	159.2
[M]+	238.17160	157.0
[M]-	238.17270	157.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe