CID 96271

Bis(2-chloroethyl)phosphoramidic dichloride

Structural Information

Molecular Formula

C₄H₈Cl₄NOP

SMILES

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

InChI

InChI=1S/C4H8Cl4NOP/c5-1-3-9(4-2-6)11(7,8)10/h1-4H2

InChIKey

IQPMYTNILJQKBS-UHFFFAOYSA-N

Compound name

2-chloro-N-(2-chloroethyl)-N-dichlorophosphorylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 300
Patents: 256.90976 Da
Monoisotopic Mass: 2.4
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]+	257.917036	148.1
[M+Na]+	279.898978	156.6
[M-H]-	255.902484	146.4
[M+NH4]+	274.943583	166.8
[M+K]+	295.872918	152.2
[M+H-H2O]+	239.907020	144.7
[M+HCOO]-	301.907961	157.1
[M+CH3COO]-	315.923611	197.7
[M+Na-2H]-	277.884426	149.5
[M]+	256.90921142	152.3
[M]-	256.91030858	152.3

Literature stripe

literature stripe

Patent stripe

patents stripe