CID 71439351

Ltaalyvrxzbfcg-uhfffaoysa-n

Structural Information

Molecular Formula
C32H59O4P
SMILES
CCCCCCCCCCCCC=CC=COP(=O)(O)OC=CC=CCCCCCCCCCCCC
InChI
InChI=1S/C32H59O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-37(33,34)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h25-32H,3-24H2,1-2H3,(H,33,34)
InChIKey
LTAALYVRXZBFCG-UHFFFAOYSA-N
Compound name
bis(hexadeca-1,3-dienyl) hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

538.4151 Da
Monoisotopic Mass

13.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.422376 236.5
[M+Na]+ 561.404318 241.0
[M-H]- 537.407824 222.2
[M+NH4]+ 556.448923 235.6
[M+K]+ 577.378258 239.0
[M+H-H2O]+ 521.412360 226.6
[M+HCOO]- 583.413301 250.4
[M+CH3COO]- 597.428951 250.1
[M+Na-2H]- 559.389766 219.5
[M]+ 538.41455142 233.8
[M]- 538.41564858 233.8
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.