CID 108798

59662-32-7

Structural Information

Molecular Formula

C₁₉H₂₄

SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C19H24/c1-2-3-4-5-7-10-17-13-15-19(16-14-17)18-11-8-6-9-12-18/h6,8-9,11-16H,2-5,7,10H2,1H3

InChIKey

KZIZPXDIBXXKAJ-UHFFFAOYSA-N

Compound name

1-heptyl-4-phenylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 104
Patents: 252.1878 Da
Monoisotopic Mass: 7.7
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]+	253.19508	162.3
[M+Na]+	275.17702	167.7
[M-H]-	251.18052	168.0
[M+NH4]+	270.22162	179.3
[M+K]+	291.15096	162.6
[M+H-H2O]+	235.18506	154.3
[M+HCOO]-	297.18600	185.0
[M+CH3COO]-	311.20165	198.3
[M+Na-2H]-	273.16247	167.0
[M]+	252.18725	163.5
[M]-	252.18835	163.5

Literature stripe

literature stripe

Patent stripe

patents stripe