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

36
Patents

300.222 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.22928 180.2
[M+Na]+ 323.21122 183.7
[M-H]- 299.21472 178.3
[M+NH4]+ 318.25582 196.5
[M+K]+ 339.18516 177.8
[M+H-H2O]+ 283.21926 174.6
[M+HCOO]- 345.22020 195.2
[M+CH3COO]- 359.23585 207.5
[M+Na-2H]- 321.19667 179.2
[M]+ 300.22145 187.2
[M]- 300.22255 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