CID 3084974

9-chloro-1-nonanol

Structural Information

Molecular Formula
C9H19ClO
SMILES
C(CCCCO)CCCCCl
InChI
InChI=1S/C9H19ClO/c10-8-6-4-2-1-3-5-7-9-11/h11H,1-9H2
InChIKey
XZWFEAMFGGBZOX-UHFFFAOYSA-N
Compound name
9-chlorononan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

178.11244 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.11972 141.7
[M+Na]+ 201.10166 148.1
[M-H]- 177.10516 139.9
[M+NH4]+ 196.14626 162.3
[M+K]+ 217.07560 144.4
[M+H-H2O]+ 161.10970 137.9
[M+HCOO]- 223.11064 158.7
[M+CH3COO]- 237.12629 179.5
[M+Na-2H]- 199.08711 146.3
[M]+ 178.11189 145.4
[M]- 178.11299 145.4
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