CID 54110

B 523

Structural Information

Molecular Formula
C8H16Cl2NO3P
SMILES
C1CCOP(=O)(OC1)N(CCCl)CCCl
InChI
InChI=1S/C8H16Cl2NO3P/c9-3-5-11(6-4-10)15(12)13-7-1-2-8-14-15/h1-8H2
InChIKey
HHHMUGDMJXRHFH-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-dioxaphosphepan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.02448 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.03176 153.6
[M+Na]+ 298.01370 161.8
[M+NH4]+ 293.05830 161.3
[M+K]+ 313.98764 156.6
[M-H]- 274.01720 156.4
[M+Na-2H]- 295.99915 157.9
[M]+ 275.02393 156.0
[M]- 275.02503 156.0
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.