CID 12332255

1-chlorononan-2-one

Structural Information

Molecular Formula
C9H17ClO
SMILES
CCCCCCCC(=O)CCl
InChI
InChI=1S/C9H17ClO/c1-2-3-4-5-6-7-9(11)8-10/h2-8H2,1H3
InChIKey
ASJANZXGKBBVDY-UHFFFAOYSA-N
Compound name
1-chlorononan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

176.09679 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10407 140.0
[M+Na]+ 199.08601 146.9
[M-H]- 175.08951 139.8
[M+NH4]+ 194.13061 161.2
[M+K]+ 215.05995 144.0
[M+H-H2O]+ 159.09405 136.1
[M+HCOO]- 221.09499 157.8
[M+CH3COO]- 235.11064 182.1
[M+Na-2H]- 197.07146 143.9
[M]+ 176.09624 144.3
[M]- 176.09734 144.3
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