CID 5364783

Oleoyl chloride

Structural Information

Molecular Formula
C18H33ClO
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)Cl
InChI
InChI=1S/C18H33ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3/b10-9-
InChIKey
MLQBTMWHIOYKKC-KTKRTIGZSA-N
Compound name
(Z)-octadec-9-enoyl chloride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

12
References

5286
Patents

300.222 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.229276 180.2
[M+Na]+ 323.211218 183.7
[M-H]- 299.214724 178.3
[M+NH4]+ 318.255823 196.5
[M+K]+ 339.185158 177.8
[M+H-H2O]+ 283.219260 174.6
[M+HCOO]- 345.220201 195.2
[M+CH3COO]- 359.235851 207.5
[M+Na-2H]- 321.196666 179.2
[M]+ 300.22145142 187.2
[M]- 300.22254858 187.2
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