CID 178918

96857-55-5

Structural Information

Molecular Formula

C₅H₁₂FO₃P

SMILES

CCOP(=O)(CF)OCC

InChI

InChI=1S/C5H12FO3P/c1-3-8-10(7,5-6)9-4-2/h3-5H2,1-2H3

InChIKey

HIZZGKZEHBXFAQ-UHFFFAOYSA-N

Compound name

1-[ethoxy(fluoromethyl)phosphoryl]oxyethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 170.05081 Da
Monoisotopic Mass: 0.6
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]+	171.05809	135.9
[M+Na]+	193.04003	143.9
[M-H]-	169.04353	134.0
[M+NH4]+	188.08463	157.2
[M+K]+	209.01397	144.4
[M+H-H2O]+	153.04807	128.6
[M+HCOO]-	215.04901	163.5
[M+CH3COO]-	229.06466	179.3
[M+Na-2H]-	191.02548	140.1
[M]+	170.05026	140.6
[M]-	170.05136	140.6

Literature stripe

literature stripe

Patent stripe

patents stripe