CID 99303

4-ketoifosfamide

Structural Information

Molecular Formula

C₇H₁₃Cl₂N₂O₃P

SMILES

C1COP(=O)(N(C1=O)CCCl)NCCCl

InChI

InChI=1S/C7H13Cl2N2O3P/c8-2-4-10-15(13)11(5-3-9)7(12)1-6-14-15/h1-6H2,(H,10,13)

InChIKey

PEZLCTIXHCOEOG-UHFFFAOYSA-N

Compound name

3-(2-chloroethyl)-2-(2-chloroethylamino)-2-oxo-1,3,2lambda5-oxazaphosphinan-4-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 6
Patents: 274.0041 Da
Monoisotopic Mass: -0.2
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]+	275.01138	151.5
[M+Na]+	296.99332	159.6
[M-H]-	272.99682	152.5
[M+NH4]+	292.03792	168.8
[M+K]+	312.96726	156.7
[M+H-H2O]+	257.00136	145.1
[M+HCOO]-	319.00230	167.7
[M+CH3COO]-	333.01795	195.6
[M+Na-2H]-	294.97877	154.5
[M]+	274.00355	154.9
[M]-	274.00465	154.9

Literature stripe

literature stripe

Patent stripe

patents stripe