CID 141867

Chlorocyclododecane

Structural Information

Molecular Formula

C₁₂H₂₃Cl

SMILES

C1CCCCCC(CCCCC1)Cl

InChI

InChI=1S/C12H23Cl/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h12H,1-11H2

InChIKey

GSLYVPRSSKKSQY-UHFFFAOYSA-N

Compound name

chlorocyclododecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 202.14883 Da
Monoisotopic Mass: 5.0
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	147.9
[M+Na]+	225.13805	150.5
[M-H]-	201.14155	147.5
[M+NH4]+	220.18265	164.6
[M+K]+	241.11199	148.0
[M+H-H2O]+	185.14609	145.6
[M+HCOO]-	247.14703	159.8
[M+CH3COO]-	261.16268	177.8
[M+Na-2H]-	223.12350	149.3
[M]+	202.14828	138.2
[M]-	202.14938	138.2

Literature stripe

literature stripe

Patent stripe

patents stripe