CID 3060705

B 757

Structural Information

Molecular Formula
C8H17Cl2N2O2P
SMILES
CCN1CCOP1(=O)N(CCCl)CCCl
InChI
InChI=1S/C8H17Cl2N2O2P/c1-2-11-7-8-14-15(11,13)12(5-3-9)6-4-10/h2-8H2,1H3
InChIKey
LTLZMCKIUDWOSZ-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-3-ethyl-2-oxo-1,3,2lambda5-oxazaphospholidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.04047 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.04775 156.7
[M+Na]+ 297.02969 164.1
[M-H]- 273.03319 158.7
[M+NH4]+ 292.07429 176.1
[M+K]+ 313.00363 162.0
[M+H-H2O]+ 257.03773 149.7
[M+HCOO]- 319.03867 174.5
[M+CH3COO]- 333.05432 199.1
[M+Na-2H]- 295.01514 157.4
[M]+ 274.03992 162.3
[M]- 274.04102 162.3
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.