CID 95691

Phosphoric triamide, n,n-bis(2-chloroethyl)-

Structural Information

Molecular Formula
C4H12Cl2N3OP
SMILES
C(CCl)N(CCCl)P(=O)(N)N
InChI
InChI=1S/C4H12Cl2N3OP/c5-1-3-9(4-2-6)11(7,8)10/h1-4H2,(H4,7,8,10)
InChIKey
NYQBCNOQNRTAAO-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-chloroethyl)-N-diaminophosphorylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

219.0095 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.01678 144.5
[M+Na]+ 241.99872 152.0
[M+NH4]+ 237.04332 151.2
[M+K]+ 257.97266 147.8
[M-H]- 218.00222 143.8
[M+Na-2H]- 239.98417 146.8
[M]+ 219.00895 145.4
[M]- 219.01005 145.4
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

patents stripe