CID 96105

20982-36-9

Structural Information

Molecular Formula

C₇H₁₆Cl₂N₃OP

SMILES

C1CNP(=O)(NC1)N(CCCl)CCCl

InChI

InChI=1S/C7H16Cl2N3OP/c8-2-6-12(7-3-9)14(13)10-4-1-5-11-14/h1-7H2,(H2,10,11,13)

InChIKey

DWYVKLNIPSRLQN-UHFFFAOYSA-N

Compound name

N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-diazaphosphinan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 259.0408 Da
Monoisotopic Mass: 0.5
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]+	260.04808	150.9
[M+Na]+	282.03002	156.2
[M-H]-	258.03352	147.8
[M+NH4]+	277.07462	167.5
[M+K]+	298.00396	151.6
[M+H-H2O]+	242.03806	143.4
[M+HCOO]-	304.03900	163.7
[M+CH3COO]-	318.05465	191.0
[M+Na-2H]-	280.01547	152.3
[M]+	259.04025	148.7
[M]-	259.04135	148.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe