CID 78697

5001-31-0

Structural Information

Molecular Formula

C₄H₈Cl₃FNOP

SMILES

C(CF)N(CCCl)P(=O)(Cl)Cl

InChI

InChI=1S/C4H8Cl3FNOP/c5-1-3-9(4-2-8)11(6,7)10/h1-4H2

InChIKey

LZXYXZYVUMCUJG-UHFFFAOYSA-N

Compound name

N-(2-chloroethyl)-N-dichlorophosphoryl-2-fluoroethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 240.93932 Da
Monoisotopic Mass: 2.1
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]+	241.94660	142.5
[M+Na]+	263.92854	151.6
[M-H]-	239.93204	140.9
[M+NH4]+	258.97314	162.5
[M+K]+	279.90248	147.4
[M+H-H2O]+	223.93658	137.7
[M+HCOO]-	285.93752	156.4
[M+CH3COO]-	299.95317	194.4
[M+Na-2H]-	261.91399	144.8
[M]+	240.93877	147.0
[M]-	240.93987	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.