CID 3060430

1,3,2-diazaphospholidine, 2-(bis(2-chloroethyl)amino)-, 2-oxide

Structural Information

Molecular Formula
C6H14Cl2N3OP
SMILES
C1CNP(=O)(N1)N(CCCl)CCCl
InChI
InChI=1S/C6H14Cl2N3OP/c7-1-5-11(6-2-8)13(12)9-3-4-10-13/h1-6H2,(H2,9,10,12)
InChIKey
UXJBYBYZVMWJHS-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-diazaphospholidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.02516 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.03244 148.0
[M+Na]+ 268.01438 156.2
[M+NH4]+ 263.05898 155.7
[M+K]+ 283.98832 150.9
[M-H]- 244.01788 146.5
[M+Na-2H]- 265.99983 151.9
[M]+ 245.02461 148.8
[M]- 245.02571 148.8
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.