CID 57268081

Dtxsid601200403

Structural Information

Molecular Formula

C₁₆H₃₅O₅P

SMILES

CCCCCCCCCCCCCCOCCOP(=O)(O)O

InChI

InChI=1S/C16H35O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-15-16-21-22(17,18)19/h2-16H2,1H3,(H2,17,18,19)

InChIKey

ZGEWRIFKMJKKQV-UHFFFAOYSA-N

Compound name

2-tetradecoxyethyl dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 338.2222 Da
Monoisotopic Mass: 5.0
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]+	339.22948	191.6
[M+Na]+	361.21142	193.7
[M-H]-	337.21492	185.9
[M+NH4]+	356.25602	185.5
[M+K]+	377.18536	191.1
[M+H-H2O]+	321.21946	182.9
[M+HCOO]-	383.22040	203.8
[M+CH3COO]-	397.23605	208.5
[M+Na-2H]-	359.19687	189.8
[M]+	338.22165	200.5
[M]-	338.22275	200.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe