CID 9817754

Linoleoyl chloride

Structural Information

Molecular Formula

C₁₈H₃₁ClO

SMILES

CCCCC/C=C\C/C=C\CCCCCCCC(=O)Cl

InChI

InChI=1S/C18H31ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3/b7-6-,10-9-

InChIKey

FBWMYSQUTZRHAT-HZJYTTRNSA-N

Compound name

(9Z,12Z)-octadeca-9,12-dienoyl chloride

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1079
Patents: 298.20633 Da
Monoisotopic Mass: 7.6
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]+	299.213606	178.8
[M+Na]+	321.195548	182.8
[M-H]-	297.199054	177.0
[M+NH4]+	316.240153	195.2
[M+K]+	337.169488	176.2
[M+H-H2O]+	281.203590	173.3
[M+HCOO]-	343.204531	194.1
[M+CH3COO]-	357.220181	205.9
[M+Na-2H]-	319.180996	177.9
[M]+	298.20578142	185.1
[M]-	298.20687858	185.1

Literature stripe

literature stripe

Patent stripe

patents stripe