CID 3084882

42916-73-4

Structural Information

Molecular Formula

C₁₇H₁₈O

SMILES

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

InChI

InChI=1S/C17H18O/c1-2-3-9-17(18)16-12-10-15(11-13-16)14-7-5-4-6-8-14/h4-8,10-13H,2-3,9H2,1H3

InChIKey

JXQDHVJDFYUJOK-UHFFFAOYSA-N

Compound name

1-(4-phenylphenyl)pentan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 238.13577 Da
Monoisotopic Mass: 4.9
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]+	239.14305	156.7
[M+Na]+	261.12499	171.8
[M+NH4]+	256.16959	166.0
[M+K]+	277.09893	162.7
[M-H]-	237.12849	161.9
[M+Na-2H]-	259.11044	166.6
[M]+	238.13522	160.5
[M]-	238.13632	160.5

Literature stripe

literature stripe

Patent stripe

patents stripe