CID 53425512

75677-09-7

Structural Information

Molecular Formula

C₁₅H₁₄O

SMILES

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

InChI

InChI=1S/C15H14O/c16-12-4-5-13-8-10-15(11-9-13)14-6-2-1-3-7-14/h1-3,6-12H,4-5H2

InChIKey

QGJDVSWMEVFRCW-UHFFFAOYSA-N

Compound name

3-(4-phenylphenyl)propanal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 210.10446 Da
Monoisotopic Mass: 4.0
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]+	211.11174	146.1
[M+Na]+	233.09368	153.6
[M-H]-	209.09718	152.7
[M+NH4]+	228.13828	164.8
[M+K]+	249.06762	149.4
[M+H-H2O]+	193.10172	138.9
[M+HCOO]-	255.10266	170.7
[M+CH3COO]-	269.11831	187.4
[M+Na-2H]-	231.07913	153.0
[M]+	210.10391	146.7
[M]-	210.10501	146.7

Literature stripe

literature stripe

Patent stripe

patents stripe