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

6
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

patents stripe