CID 209931

20796-40-1

Structural Information

Molecular Formula
C6H16Cl2N3OP
SMILES
CNP(=O)(NC)N(CCCl)CCCl
InChI
InChI=1S/C6H16Cl2N3OP/c1-9-13(12,10-2)11(5-3-7)6-4-8/h3-6H2,1-2H3,(H2,9,10,12)
InChIKey
BLIYLDFWKLERFT-UHFFFAOYSA-N
Compound name
N-[bis(methylamino)phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.0408 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.04808 153.4
[M+Na]+ 270.03002 161.0
[M+NH4]+ 265.07462 160.0
[M+K]+ 286.00396 155.9
[M-H]- 246.03352 152.9
[M+Na-2H]- 268.01547 156.1
[M]+ 247.04025 154.4
[M]- 247.04135 154.4
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.