CID 98612

Alcophosphamide

Structural Information

Molecular Formula

C₇H₁₇Cl₂N₂O₃P

SMILES

C(CO)COP(=O)(N)N(CCCl)CCCl

InChI

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

InChIKey

BZGFIGVSVQRQBJ-UHFFFAOYSA-N

Compound name

3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 5
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	159.1
[M+Na]+	301.024588	165.4
[M-H]-	277.028094	157.3
[M+NH4]+	296.069193	176.3
[M+K]+	316.998528	162.0
[M+H-H2O]+	261.032630	153.4
[M+HCOO]-	323.033571	178.0
[M+CH3COO]-	337.049221	200.9
[M+Na-2H]-	299.010036	160.3
[M]+	278.03482142	165.0
[M]-	278.03591858	165.0

Literature stripe

literature stripe

Patent stripe

patents stripe