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 163.3
[M+Na]+ 298.06132 169.3
[M-H]- 274.06482 166.2
[M+NH4]+ 293.10592 182.7
[M+K]+ 314.03526 168.5
[M+H-H2O]+ 258.06936 156.7
[M+HCOO]- 320.07030 185.5
[M+CH3COO]- 334.08595 214.7
[M+Na-2H]- 296.04677 163.8
[M]+ 275.07155 171.6
[M]- 275.07265 171.6
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.