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 147.8
[M+Na]+ 268.01438 154.1
[M-H]- 244.01788 145.0
[M+NH4]+ 263.05898 166.5
[M+K]+ 283.98832 149.7
[M+H-H2O]+ 228.02242 140.2
[M+HCOO]- 290.02336 162.7
[M+CH3COO]- 304.03901 187.7
[M+Na-2H]- 265.99983 148.3
[M]+ 245.02461 146.9
[M]- 245.02571 146.9
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.