CID 71439352

Lkczdborqlfprp-uhfffaoysa-n

Structural Information

Molecular Formula
C32H63O4P
SMILES
CCCCCCCCCCCCCCC=COP(=O)(O)OC=CCCCCCCCCCCCCCC
InChI
InChI=1S/C32H63O4P/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/h29-32H,3-28H2,1-2H3,(H,33,34)
InChIKey
LKCZDBORQLFPRP-UHFFFAOYSA-N
Compound name
bis(hexadec-1-enyl) hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

542.4464 Da
Monoisotopic Mass

14.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.453676 240.8
[M+Na]+ 565.435618 244.0
[M-H]- 541.439124 224.8
[M+NH4]+ 560.480223 239.2
[M+K]+ 581.409558 243.0
[M+H-H2O]+ 525.443660 230.7
[M+HCOO]- 587.444601 253.0
[M+CH3COO]- 601.460251 253.0
[M+Na-2H]- 563.421066 222.7
[M]+ 542.44585142 238.4
[M]- 542.44694858 238.4
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.