CID 96354

Phosphinic amide, bis(1-aziridinyl)-n-bis(2-chloroethyl)-

Structural Information

Molecular Formula
C8H16Cl2N3OP
SMILES
C1CN1P(=O)(N2CC2)N(CCCl)CCCl
InChI
InChI=1S/C8H16Cl2N3OP/c9-1-3-11(4-2-10)15(14,12-5-6-12)13-7-8-13/h1-8H2
InChIKey
SXWVJYCMAMRIMY-UHFFFAOYSA-N
Compound name
N-[bis(aziridin-1-yl)phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.0408 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.04808 168.4
[M+Na]+ 294.03002 174.7
[M-H]- 270.03352 171.5
[M+NH4]+ 289.07462 173.2
[M+K]+ 310.00396 170.8
[M+H-H2O]+ 254.03806 159.5
[M+HCOO]- 316.03900 182.9
[M+CH3COO]- 330.05465 209.6
[M+Na-2H]- 292.01547 168.0
[M]+ 271.04025 175.3
[M]- 271.04135 175.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.