CID 3060565

B 495

Structural Information

Molecular Formula
C8H20Cl2N3OP
SMILES
CN(C)P(=O)(N(C)C)N(CCCl)CCCl
InChI
InChI=1S/C8H20Cl2N3OP/c1-11(2)15(14,12(3)4)13(7-5-9)8-6-10/h5-8H2,1-4H3
InChIKey
DNANDAUIQJXUHZ-UHFFFAOYSA-N
Compound name
N-[bis(dimethylamino)phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.0721 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.07938 162.1
[M+Na]+ 298.06132 169.8
[M+NH4]+ 293.10592 168.9
[M+K]+ 314.03526 165.1
[M-H]- 274.06482 162.2
[M+Na-2H]- 296.04677 164.8
[M]+ 275.07155 163.4
[M]- 275.07265 163.4
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

No patent data available for this compound.