CID 67752

Diethyl fluorophosphate

Structural Information

Molecular Formula

C₄H₁₀FO₃P

SMILES

CCOP(=O)(OCC)F

InChI

InChI=1S/C4H10FO3P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3

InChIKey

WXSIQKMFCCUZFJ-UHFFFAOYSA-N

Compound name

1-[ethoxy(fluoro)phosphoryl]oxyethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 304
Patents: 156.03516 Da
Monoisotopic Mass: 0.7
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]+	157.04244	131.1
[M+Na]+	179.02438	139.4
[M-H]-	155.02788	129.3
[M+NH4]+	174.06898	152.9
[M+K]+	194.99832	140.2
[M+H-H2O]+	139.03242	124.0
[M+HCOO]-	201.03336	159.0
[M+CH3COO]-	215.04901	176.2
[M+Na-2H]-	177.00983	135.8
[M]+	156.03461	135.4
[M]-	156.03571	135.4

Literature stripe

literature stripe

Patent stripe

patents stripe