CID 11770936

Gamma-linolenoyl chloride

Structural Information

Molecular Formula
C18H29ClO
SMILES
CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)Cl
InChI
InChI=1S/C18H29ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3/b7-6-,10-9-,13-12-
InChIKey
MAAVGFJWXMUHAT-QNEBEIHSSA-N
Compound name
(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

168
Patents

296.1907 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.19798 177.4
[M+Na]+ 319.17992 181.8
[M-H]- 295.18342 175.8
[M+NH4]+ 314.22452 193.9
[M+K]+ 335.15386 174.6
[M+H-H2O]+ 279.18796 172.1
[M+HCOO]- 341.18890 192.9
[M+CH3COO]- 355.20455 204.4
[M+Na-2H]- 317.16537 176.5
[M]+ 296.19015 182.9
[M]- 296.19125 182.9
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