CID 100427

Palifosfamide

Structural Information

Molecular Formula

C₄H₁₁Cl₂N₂O₂P

SMILES

C(CCl)NP(=O)(NCCCl)O

InChI

InChI=1S/C4H11Cl2N2O2P/c5-1-3-7-11(9,10)8-4-2-6/h1-4H2,(H3,7,8,9,10)

InChIKey

BKCJZNIZRWYHBN-UHFFFAOYSA-N

Compound name

bis(2-chloroethylamino)phosphinic acid

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 45
References: 2529
Patents: 219.99352 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]+	221.000796	143.8
[M+Na]+	242.982738	151.2
[M-H]-	218.986244	141.4
[M+NH4]+	238.027343	162.9
[M+K]+	258.956678	146.9
[M+H-H2O]+	202.990780	139.0
[M+HCOO]-	264.991721	163.4
[M+CH3COO]-	279.007371	187.3
[M+Na-2H]-	240.968186	147.9
[M]+	219.99297142	146.7
[M]-	219.99406858	146.7

Literature stripe

literature stripe

Patent stripe

patents stripe