CID 73717267

Iuwxmooqmnuzcd-uhfffaoysa-n

Structural Information

Molecular Formula
C36H67O4P
SMILES
CCCCCCCCCCCCCCC=CC=COP(=O)(O)OC=CC=CCCCCCCCCCCCCCC
InChI
InChI=1S/C36H67O4P/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/h29-36H,3-28H2,1-2H3,(H,37,38)
InChIKey
IUWXMOOQMNUZCD-UHFFFAOYSA-N
Compound name
bis(octadeca-1,3-dienyl) hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

594.4777 Da
Monoisotopic Mass

16.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 595.484976 250.3
[M+Na]+ 617.466918 254.0
[M-H]- 593.470424 234.4
[M+NH4]+ 612.511523 249.2
[M+K]+ 633.440858 253.7
[M+H-H2O]+ 577.474960 239.9
[M+HCOO]- 639.475901 262.7
[M+CH3COO]- 653.491551 261.6
[M+Na-2H]- 615.452366 231.5
[M]+ 594.47715142 247.4
[M]- 594.47824858 247.4
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.