CID 54109

B 604

Structural Information

Molecular Formula
C10H20Cl2NO3P
SMILES
C1CCCOP(=O)(OCC1)N(CCCl)CCCl
InChI
InChI=1S/C10H20Cl2NO3P/c11-5-7-13(8-6-12)17(14)15-9-3-1-2-4-10-16-17/h1-10H2
InChIKey
OLKQGJCXKFABEF-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-2-oxo-1,3,2lambda5-dioxaphosphonan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.0558 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.06308 194.9
[M+Na]+ 326.04502 197.3
[M-H]- 302.04852 195.1
[M+NH4]+ 321.08962 195.3
[M+K]+ 342.01896 195.1
[M+H-H2O]+ 286.05306 187.0
[M+HCOO]- 348.05400 196.0
[M+CH3COO]- 362.06965 196.6
[M+Na-2H]- 324.03047 197.4
[M]+ 303.05525 195.5
[M]- 303.05635 195.5
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.