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 152.4
[M+Na]+ 298.01370 157.8
[M-H]- 274.01720 156.7
[M+NH4]+ 293.05830 168.7
[M+K]+ 313.98764 161.1
[M+H-H2O]+ 258.02174 145.1
[M+HCOO]- 320.02268 168.5
[M+CH3COO]- 334.03833 198.8
[M+Na-2H]- 295.99915 156.0
[M]+ 275.02393 153.9
[M]- 275.02503 153.9
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.