CID 6436414

Dioleyl phosphate

Structural Information

Molecular Formula
C36H71O4P
SMILES
CCCCCCCC/C=C\CCCCCCCCOP(=O)(OCCCCCCCC/C=C\CCCCCCCC)O
InChI
InChI=1S/C36H71O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-41(37,38)40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-36H2,1-2H3,(H,37,38)/b19-17-,20-18-
InChIKey
WFFZELZOEWLYNK-CLFAGFIQSA-N
Compound name
bis[(Z)-octadec-9-enyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

1740
Patents

598.509 Da
Monoisotopic Mass

14.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 599.51628 254.6
[M+Na]+ 621.49822 257.1
[M-H]- 597.50172 237.0
[M+NH4]+ 616.54282 252.9
[M+K]+ 637.47216 257.7
[M+H-H2O]+ 581.50626 244.1
[M+HCOO]- 643.50720 265.2
[M+CH3COO]- 657.52285 264.3
[M+Na-2H]- 619.48367 234.7
[M]+ 598.50845 252.1
[M]- 598.50955 252.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe