CID 13452

886-65-7

Structural Information

Molecular Formula

C₁₆H₁₄

SMILES

C1=CC=C(C=C1)C=CC=CC2=CC=CC=C2

InChI

InChI=1S/C16H14/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-14H

InChIKey

JFLKFZNIIQFQBS-UHFFFAOYSA-N

Compound name

4-phenylbuta-1,3-dienylbenzene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 36
References: 16109
Patents: 206.10954 Da
Monoisotopic Mass: 5.5
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]+	207.11682	146.7
[M+Na]+	229.09876	153.3
[M-H]-	205.10226	152.8
[M+NH4]+	224.14336	165.3
[M+K]+	245.07270	147.7
[M+H-H2O]+	189.10680	139.5
[M+HCOO]-	251.10774	170.9
[M+CH3COO]-	265.12339	185.3
[M+Na-2H]-	227.08421	153.8
[M]+	206.10899	144.9
[M]-	206.11009	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe