CID 5367784

59485-81-3

Structural Information

Molecular Formula

C₁₈H₃₅Cl

SMILES

CCCCCCCC/C=C\CCCCCCCCCl

InChI

InChI=1S/C18H35Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10H,2-8,11-18H2,1H3/b10-9-

InChIKey

IFABLCIRROMTAN-KTKRTIGZSA-N

Compound name

(Z)-1-chlorooctadec-9-ene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 600
Patents: 286.24274 Da
Monoisotopic Mass: 9.2
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]+	287.25002	178.1
[M+Na]+	309.23196	181.6
[M-H]-	285.23546	176.1
[M+NH4]+	304.27656	195.1
[M+K]+	325.20590	175.4
[M+H-H2O]+	269.24000	172.5
[M+HCOO]-	331.24094	193.6
[M+CH3COO]-	345.25659	205.8
[M+Na-2H]-	307.21741	178.3
[M]+	286.24219	185.0
[M]-	286.24329	185.0

Literature stripe

literature stripe

Patent stripe

patents stripe