CID 134773

Iminocyclophosphamide

Structural Information

Molecular Formula

C₇H₁₃Cl₂N₂O₂P

SMILES

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

InChI

InChI=1S/C7H13Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h4H,1-3,5-7H2

InChIKey

WCPGXZCOHAERPQ-UHFFFAOYSA-N

Compound name

N,N-bis(2-chloroethyl)-2-oxo-5,6-dihydro-1,3,2lambda5-oxazaphosphinin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 5
Patents: 258.00916 Da
Monoisotopic Mass: 0.3
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]+	259.01644	149.3
[M+Na]+	280.99838	156.5
[M-H]-	257.00188	151.4
[M+NH4]+	276.04298	167.5
[M+K]+	296.97232	154.8
[M+H-H2O]+	241.00642	142.0
[M+HCOO]-	303.00736	167.0
[M+CH3COO]-	317.02301	195.0
[M+Na-2H]-	278.98383	153.4
[M]+	258.00861	153.9
[M]-	258.00971	153.9

Literature stripe

literature stripe

Patent stripe

patents stripe