CID 73717268

Diiboslqynjpmb-uhfffaoysa-n

Structural Information

Molecular Formula
C16H31O4P
SMILES
CCCCCCCCCCCCC=CC=COP(=O)(O)O
InChI
InChI=1S/C16H31O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19/h13-16H,2-12H2,1H3,(H2,17,18,19)
InChIKey
DIIBOSLQYNJPMB-UHFFFAOYSA-N
Compound name
hexadeca-1,3-dienyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.19598 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.203256 186.5
[M+Na]+ 341.185198 189.5
[M-H]- 317.188704 181.1
[M+NH4]+ 336.229803 200.3
[M+K]+ 357.159138 185.1
[M+H-H2O]+ 301.193240 178.3
[M+HCOO]- 363.194181 209.0
[M+CH3COO]- 377.209831 203.4
[M+Na-2H]- 339.170646 184.6
[M]+ 318.19543142 192.4
[M]- 318.19652858 192.4
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.