CID 11809448

Ns00057952

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

2
Annotation Hits: 0
References: 92
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]+	323.234576	190.1
[M+Na]+	345.216518	192.2
[M-H]-	321.220024	184.6
[M+NH4]+	340.261123	203.7
[M+K]+	361.190458	189.5
[M+H-H2O]+	305.224560	181.8
[M+HCOO]-	367.225501	211.2
[M+CH3COO]-	381.241151	207.3
[M+Na-2H]-	343.201966	186.8
[M]+	322.22675142	196.9
[M]-	322.22784858	196.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe