CID 108796

P-heptanoylbiphenyl

Structural Information

Molecular Formula

C₁₉H₂₂O

SMILES

CCCCCCC(=O)C1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C19H22O/c1-2-3-4-8-11-19(20)18-14-12-17(13-15-18)16-9-6-5-7-10-16/h5-7,9-10,12-15H,2-4,8,11H2,1H3

InChIKey

YCPKHSFFVZYFMP-UHFFFAOYSA-N

Compound name

1-(4-phenylphenyl)heptan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 266.16705 Da
Monoisotopic Mass: 6.0
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]+	267.17433	165.1
[M+Na]+	289.15627	170.5
[M-H]-	265.15977	170.9
[M+NH4]+	284.20087	181.3
[M+K]+	305.13021	165.8
[M+H-H2O]+	249.16431	157.0
[M+HCOO]-	311.16525	187.2
[M+CH3COO]-	325.18090	200.2
[M+Na-2H]-	287.14172	168.5
[M]+	266.16650	166.4
[M]-	266.16760	166.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe