CID 119105

2-dechloroethylifosfamide

Structural Information

Molecular Formula

C₅H₁₂ClN₂O₂P

SMILES

C1CN(P(=O)(OC1)N)CCCl

InChI

InChI=1S/C5H12ClN2O2P/c6-2-4-8-3-1-5-10-11(8,7)9/h1-5H2,(H2,7,9)

InChIKey

ROGLJLJCDSTWBN-UHFFFAOYSA-N

Compound name

3-(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 20
References: 21
Patents: 198.03249 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]+	199.039766	139.0
[M+Na]+	221.021708	146.4
[M-H]-	197.025214	139.9
[M+NH4]+	216.066313	158.4
[M+K]+	236.995648	145.1
[M+H-H2O]+	181.029750	131.9
[M+HCOO]-	243.030691	159.8
[M+CH3COO]-	257.046341	181.8
[M+Na-2H]-	219.007156	142.7
[M]+	198.03194142	138.6
[M]-	198.03303858	138.6

Literature stripe

literature stripe

Patent stripe

patents stripe