CID 4245417

Octadec-11-enoyl chloride

Structural Information

Molecular Formula
C18H33ClO
SMILES
CCCCCCC=CCCCCCCCCCC(=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/h7-8H,2-6,9-17H2,1H3
InChIKey
WYUXJEJFKYBBMZ-UHFFFAOYSA-N
Compound name
octadec-11-enoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
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

No literature data available for this compound.

Patent stripe

patents stripe