CID 171120173

Fahfa(18:2/13-o-18:2)

Structural Information

Molecular Formula
C36H62O4
SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(CCCCC)/C=C/C=C\CCCCCCCC(=O)O
InChI
InChI=1S/C36H62O4/c1-3-5-7-8-9-10-11-12-13-14-15-19-22-25-29-33-36(39)40-34(30-26-6-4-2)31-27-23-20-17-16-18-21-24-28-32-35(37)38/h9-10,12-13,20,23,27,31,34H,3-8,11,14-19,21-22,24-26,28-30,32-33H2,1-2H3,(H,37,38)/b10-9-,13-12-,23-20-,31-27+
InChIKey
PVZXDHZNHJSJQO-UQZHAUBMSA-N
Compound name
(9Z,11E)-13-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyoctadeca-9,11-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

558.4648 Da
Monoisotopic Mass

12.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 559.47208 244.6
[M+Na]+ 581.45402 252.0
[M-H]- 557.45752 233.0
[M+NH4]+ 576.49862 247.1
[M+K]+ 597.42796 252.0
[M+H-H2O]+ 541.46206 244.8
[M+HCOO]- 603.46300 249.7
[M+CH3COO]- 617.47865 254.9
[M+Na-2H]- 579.43947 230.7
[M]+ 558.46425 243.4
[M]- 558.46535 243.4
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.