CID 200098

B 485

Structural Information

Molecular Formula

C₆H₁₃Cl₂N₂O₂P

SMILES

C1COP(=O)(N1)N(CCCl)CCCl

InChI

InChI=1S/C6H13Cl2N2O2P/c7-1-4-10(5-2-8)13(11)9-3-6-12-13/h1-6H2,(H,9,11)

InChIKey

QBGHDGXAAQFCEM-UHFFFAOYSA-N

Compound name

N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphospholidin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 246.00917 Da
Monoisotopic Mass: 0.3
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]+	247.01645	148.5
[M+Na]+	268.99839	155.4
[M-H]-	245.00189	149.1
[M+NH4]+	264.04299	168.0
[M+K]+	284.97233	152.9
[M+H-H2O]+	229.00643	141.8
[M+HCOO]-	291.00737	165.5
[M+CH3COO]-	305.02302	189.5
[M+Na-2H]-	266.98384	150.4
[M]+	246.00862	151.1
[M]-	246.00972	151.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe