CID 54108

B 501

Structural Information

Molecular Formula
C6H12Cl2NO3P
SMILES
C1COP(=O)(O1)N(CCCl)CCCl
InChI
InChI=1S/C6H12Cl2NO3P/c7-1-3-9(4-2-8)13(10)11-5-6-12-13/h1-6H2
InChIKey
UCCUHZZSLYVRAX-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-dioxaphospholan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.99318 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.00046 149.6
[M+Na]+ 269.98240 157.0
[M-H]- 245.98590 153.6
[M+NH4]+ 265.02700 169.8
[M+K]+ 285.95634 156.5
[M+H-H2O]+ 229.99044 144.1
[M+HCOO]- 291.99138 168.5
[M+CH3COO]- 306.00703 191.7
[M+Na-2H]- 267.96785 153.0
[M]+ 246.99263 155.7
[M]- 246.99373 155.7
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.