CID 54474676

Xksjrfahlkesrd-uhfffaoysa-n

Structural Information

Molecular Formula

C₂₈H₅₅O₄P

SMILES

CCCCCCCCCCCCC=COP(=O)(O)OC=CCCCCCCCCCCCC

InChI

InChI=1S/C28H55O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-33(29,30)32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h25-28H,3-24H2,1-2H3,(H,29,30)

InChIKey

XKSJRFAHLKESRD-UHFFFAOYSA-N

Compound name

bis(tetradec-1-enyl) hydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 486.3838 Da
Monoisotopic Mass: 12.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	487.391076	226.6
[M+Na]+	509.373018	230.6
[M-H]-	485.376524	212.2
[M+NH4]+	504.417623	225.2
[M+K]+	525.346958	227.9
[M+H-H2O]+	469.381060	217.1
[M+HCOO]-	531.382001	240.4
[M+CH3COO]-	545.397651	241.4
[M+Na-2H]-	507.358466	210.3
[M]+	486.38325142	224.6
[M]-	486.38434858	224.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe