CID 9817754

Linoleoyl chloride

Structural Information

Molecular Formula
C18H31ClO
SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)Cl
InChI
InChI=1S/C18H31ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3/b7-6-,10-9-
InChIKey
FBWMYSQUTZRHAT-HZJYTTRNSA-N
Compound name
(9Z,12Z)-octadeca-9,12-dienoyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1079
Patents

298.20633 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.21361 178.8
[M+Na]+ 321.19555 182.8
[M-H]- 297.19905 177.0
[M+NH4]+ 316.24015 195.2
[M+K]+ 337.16949 176.2
[M+H-H2O]+ 281.20359 173.3
[M+HCOO]- 343.20453 194.1
[M+CH3COO]- 357.22018 205.9
[M+Na-2H]- 319.18100 177.9
[M]+ 298.20578 185.1
[M]- 298.20688 185.1
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.