CID 17185

1-chlorononane

Structural Information

Molecular Formula
C9H19Cl
SMILES
CCCCCCCCCCl
InChI
InChI=1S/C9H19Cl/c1-2-3-4-5-6-7-8-9-10/h2-9H2,1H3
InChIKey
RKAMCQVGHFRILV-UHFFFAOYSA-N
Compound name
1-chlorononane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1931
Patents

162.11752 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.12480 138.2
[M+Na]+ 185.10674 145.0
[M-H]- 161.11024 137.8
[M+NH4]+ 180.15134 160.1
[M+K]+ 201.08068 141.9
[M+H-H2O]+ 145.11478 134.3
[M+HCOO]- 207.11572 156.4
[M+CH3COO]- 221.13137 180.5
[M+Na-2H]- 183.09219 143.3
[M]+ 162.11697 142.3
[M]- 162.11807 142.3
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