CID 6450384

(z)-1-chloro-5-dodecene

Structural Information

Molecular Formula

C₁₂H₂₃Cl

SMILES

CCCCCC/C=C/CCCCCl

InChI

InChI=1S/C12H23Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13/h7-8H,2-6,9-12H2,1H3/b8-7+

InChIKey

JCUPTNHYJZXKIH-BQYQJAHWSA-N

Compound name

(E)-1-chlorododec-5-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 202.14883 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]+	203.156106	150.8
[M+Na]+	225.138048	156.8
[M-H]-	201.141554	149.9
[M+NH4]+	220.182653	171.2
[M+K]+	241.111988	152.2
[M+H-H2O]+	185.146090	146.4
[M+HCOO]-	247.147031	168.3
[M+CH3COO]-	261.162681	187.9
[M+Na-2H]-	223.123496	154.3
[M]+	202.14828142	155.4
[M]-	202.14937858	155.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.