CID 78696

5001-30-9

Structural Information

Molecular Formula

C₄H₈Cl₂F₂NOP

SMILES

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

InChI

InChI=1S/C4H8Cl2F2NOP/c5-11(6,10)9(3-1-7)4-2-8/h1-4H2

InChIKey

UPUKIMVAPLOYTP-UHFFFAOYSA-N

Compound name

N-dichlorophosphoryl-2-fluoro-N-(2-fluoroethyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 224.96886 Da
Monoisotopic Mass: 1.9
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]+	225.97614	139.1
[M+Na]+	247.95808	148.2
[M-H]-	223.96158	137.0
[M+NH4]+	243.00268	159.7
[M+K]+	263.93202	144.8
[M+H-H2O]+	207.96612	132.5
[M+HCOO]-	269.96706	157.5
[M+CH3COO]-	283.98271	191.8
[M+Na-2H]-	245.94353	141.8
[M]+	224.96831	142.6
[M]-	224.96941	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.