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
2
Annotation Hits

0
References

903
Patents

196.07855 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08583 144.0
[M+Na]+ 219.06777 151.0
[M-H]- 195.07127 142.8
[M+NH4]+ 214.11237 164.8
[M+K]+ 235.04171 146.2
[M+H-H2O]+ 179.07581 140.7
[M+HCOO]- 241.07675 157.1
[M+CH3COO]- 255.09240 185.2
[M+Na-2H]- 217.05322 148.2
[M]+ 196.07800 148.8
[M]- 196.07910 148.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe