CID 10265589

Alcoifosfamide

Structural Information

Molecular Formula

C₇H₁₇Cl₂N₂O₃P

SMILES

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

InChI

InChI=1S/C7H17Cl2N2O3P/c8-2-4-10-15(13,11-5-3-9)14-7-1-6-12/h12H,1-7H2,(H2,10,11,13)

InChIKey

JOAQXFLTMDRBOD-UHFFFAOYSA-N

Compound name

3-bis(2-chloroethylamino)phosphoryloxypropan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 278.03537 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]+	279.042646	158.9
[M+Na]+	301.024588	165.0
[M-H]-	277.028094	156.1
[M+NH4]+	296.069193	175.7
[M+K]+	316.998528	160.6
[M+H-H2O]+	261.032630	153.4
[M+HCOO]-	323.033571	177.9
[M+CH3COO]-	337.049221	198.3
[M+Na-2H]-	299.010036	161.8
[M]+	278.03482142	164.5
[M]-	278.03591858	164.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe