CID 308171

4-hydroxyifosfamide

Structural Information

Molecular Formula

C₇H₁₅Cl₂N₂O₃P

SMILES

C1COP(=O)(N(C1O)CCCl)NCCCl

InChI

InChI=1S/C7H15Cl2N2O3P/c8-2-4-10-15(13)11(5-3-9)7(12)1-6-14-15/h7,12H,1-6H2,(H,10,13)

InChIKey

JHUJMHKRHQPBRG-UHFFFAOYSA-N

Compound name

3-(2-chloroethyl)-2-(2-chloroethylamino)-2-oxo-1,3,2lambda5-oxazaphosphinan-4-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 28
References: 106
Patents: 276.01974 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]+	277.027016	153.5
[M+Na]+	299.008958	160.8
[M-H]-	275.012464	153.1
[M+NH4]+	294.053563	170.0
[M+K]+	314.982898	157.7
[M+H-H2O]+	259.017000	147.3
[M+HCOO]-	321.017941	168.0
[M+CH3COO]-	335.033591	194.0
[M+Na-2H]-	296.994406	155.9
[M]+	276.01919142	155.7
[M]-	276.02028858	155.7

Literature stripe

literature stripe

Patent stripe

patents stripe