CID 33676

4-ketocyclophosphamide

Structural Information

Molecular Formula

C₇H₁₃Cl₂N₂O₃P

SMILES

C1COP(=O)(NC1=O)N(CCCl)CCCl

InChI

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

InChIKey

VBMZHOCORXMDJU-UHFFFAOYSA-N

Compound name

2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda5-oxazaphosphinan-4-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 13
References: 15
Patents: 274.0041 Da
Monoisotopic Mass: 0.1
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]+	275.01138	153.2
[M+Na]+	296.99332	163.0
[M+NH4]+	292.03792	160.8
[M+K]+	312.96726	156.4
[M-H]-	272.99682	153.9
[M+Na-2H]-	294.97877	157.2
[M]+	274.00355	155.1
[M]-	274.00465	155.1

Literature stripe

literature stripe

Patent stripe

patents stripe