CID 13191

1,9-dichlorononane

Structural Information

Molecular Formula

C₉H₁₈Cl₂

SMILES

C(CCCCCl)CCCCCl

InChI

InChI=1S/C9H18Cl2/c10-8-6-4-2-1-3-5-7-9-11/h1-9H2

InChIKey

JMGRNJZUQCEJDB-UHFFFAOYSA-N

Compound name

1,9-dichlorononane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 928
Patents: 196.07855 Da
Monoisotopic Mass: 4.9
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]+	197.085826	144.0
[M+Na]+	219.067768	151.0
[M-H]-	195.071274	142.8
[M+NH4]+	214.112373	164.8
[M+K]+	235.041708	146.2
[M+H-H2O]+	179.075810	140.7
[M+HCOO]-	241.076751	157.1
[M+CH3COO]-	255.092401	185.2
[M+Na-2H]-	217.053216	148.2
[M]+	196.07800142	148.8
[M]-	196.07909858	148.8

Literature stripe

literature stripe

Patent stripe

patents stripe