CID 6442567

3-[p-methoxyphenyl]-4-chloroquinoline

Structural Information

Molecular Formula

C₁₃H₁₀

SMILES

C/C=C\C#CC#CC#C/C=C/C=C

InChI

InChI=1S/C13H10/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-7H,1H2,2H3/b6-4-,7-5+

InChIKey

KAGUESUDHDXNCN-XGXWUAJZSA-N

Compound name

(3E,11Z)-trideca-1,3,11-trien-5,7,9-triyne

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 8
Patents: 166.07825 Da
Monoisotopic Mass: 3.9
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]+	167.08553	163.4
[M+Na]+	189.06747	171.8
[M-H]-	165.07097	166.3
[M+NH4]+	184.11207	172.0
[M+K]+	205.04141	167.2
[M+H-H2O]+	149.07551	152.1
[M+HCOO]-	211.07645	166.9
[M+CH3COO]-	225.09210	226.7
[M+Na-2H]-	187.05292	162.0
[M]+	166.07770	155.7
[M]-	166.07880	155.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe