CID 3074864

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

Structural Information

Molecular Formula
C6H13Cl2N2O2P
SMILES
C1COP(=O)(N1CCCl)NCCCl
InChI
InChI=1S/C6H13Cl2N2O2P/c7-1-3-9-13(11)10(4-2-8)5-6-12-13/h1-6H2,(H,9,11)
InChIKey
WCFDBKOSUJEIRS-UHFFFAOYSA-N
Compound name
N,3-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphospholidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.00917 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.01645 147.8
[M+Na]+ 268.99839 155.8
[M-H]- 245.00189 148.6
[M+NH4]+ 264.04299 167.6
[M+K]+ 284.97233 152.8
[M+H-H2O]+ 229.00643 141.2
[M+HCOO]- 291.00737 165.7
[M+CH3COO]- 305.02302 189.9
[M+Na-2H]- 266.98384 150.2
[M]+ 246.00862 151.3
[M]- 246.00972 151.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.