CID 189733

Aldoifosfamide

Structural Information

Molecular Formula

C₇H₁₅Cl₂N₂O₃P

SMILES

C(COP(=O)(NCCCl)NCCCl)C=O

InChI

InChI=1S/C7H15Cl2N2O3P/c8-2-4-10-15(13,11-5-3-9)14-7-1-6-12/h6H,1-5,7H2,(H2,10,11,13)

InChIKey

IPTJZZUYNOWWHM-UHFFFAOYSA-N

Compound name

3-bis(2-chloroethylamino)phosphoryloxypropanal

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 30
Patents: 276.01974 Da
Monoisotopic Mass: -0.4
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]+	277.027016	157.5
[M+Na]+	299.008958	164.3
[M-H]-	275.012464	156.1
[M+NH4]+	294.053563	175.1
[M+K]+	314.982898	160.2
[M+H-H2O]+	259.017000	151.8
[M+HCOO]-	321.017941	178.2
[M+CH3COO]-	335.033591	199.8
[M+Na-2H]-	296.994406	161.0
[M]+	276.01919142	164.3
[M]-	276.02028858	164.3

Literature stripe

literature stripe

Patent stripe

patents stripe