CID 6450294

(z)-12-chloro-5-dodecene

Structural Information

Molecular Formula

C₁₂H₂₃Cl

SMILES

CCCC/C=C/CCCCCCCl

InChI

InChI=1S/C12H23Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13/h5-6H,2-4,7-12H2,1H3/b6-5+

InChIKey

YOIAMQULUAVXOH-AATRIKPKSA-N

Compound name

(E)-12-chlorododec-5-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
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]+	203.15611	150.8
[M+Na]+	225.13805	156.8
[M-H]-	201.14155	149.9
[M+NH4]+	220.18265	171.2
[M+K]+	241.11199	152.2
[M+H-H2O]+	185.14609	146.4
[M+HCOO]-	247.14703	168.3
[M+CH3COO]-	261.16268	187.9
[M+Na-2H]-	223.12350	154.3
[M]+	202.14828	155.4
[M]-	202.14938	155.4

Literature stripe

literature stripe

Patent stripe

patents stripe