CID 11809448

Einecs 254-432-1

Structural Information

Molecular Formula

C₁₆H₃₅O₄P

SMILES

CCCCCCCCC(CCCCCC)COP(=O)(O)O

InChI

InChI=1S/C16H35O4P/c1-3-5-7-9-10-12-14-16(13-11-8-6-4-2)15-20-21(17,18)19/h16H,3-15H2,1-2H3,(H2,17,18,19)

InChIKey

YPFIYMHYZDIPAR-UHFFFAOYSA-N

Compound name

2-hexyldecyl dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 111
Patents: 322.2273 Da
Monoisotopic Mass: 5.9
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]+	323.23458	183.3
[M+Na]+	345.21652	188.4
[M+NH4]+	340.26112	186.8
[M+K]+	361.19046	183.8
[M-H]-	321.22002	178.8
[M+Na-2H]-	343.20197	181.3
[M]+	322.22675	182.2
[M]-	322.22785	182.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe