CID 69819

Nonanoyl chloride

Structural Information

Molecular Formula
C9H17ClO
SMILES
CCCCCCCCC(=O)Cl
InChI
InChI=1S/C9H17ClO/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3
InChIKey
NTQYXUJLILNTFH-UHFFFAOYSA-N
Compound name
nonanoyl chloride
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

2351
Patents

176.09679 Da
Monoisotopic Mass

4.5
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.