CID 433483

2-(4-phenylphenyl)penta-3,4-dien-2-ol

Structural Information

Molecular Formula

C₁₇H₁₆O

SMILES

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

InChI

InChI=1S/C17H16O/c1-3-13-17(2,18)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-13,18H,1H2,2H3

InChIKey

OCKIAGKFXQICLF-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 236.12012 Da
Monoisotopic Mass: 3.3
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]+	237.12740	154.8
[M+Na]+	259.10934	161.8
[M-H]-	235.11284	160.1
[M+NH4]+	254.15394	171.8
[M+K]+	275.08328	156.1
[M+H-H2O]+	219.11738	148.2
[M+HCOO]-	281.11832	175.8
[M+CH3COO]-	295.13397	189.6
[M+Na-2H]-	257.09479	160.8
[M]+	236.11957	153.0
[M]-	236.12067	153.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe