CID 3060706

Brn 2375424

Structural Information

Molecular Formula
C8H17Cl2N2O2P
SMILES
CCC1COP(=O)(N1)N(CCCl)CCCl
InChI
InChI=1S/C8H17Cl2N2O2P/c1-2-8-7-14-15(13,11-8)12(5-3-9)6-4-10/h8H,2-7H2,1H3,(H,11,13)
InChIKey
DREOKUIEHRVKQO-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-4-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

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.047746 157.4
[M+Na]+ 297.029688 164.4
[M-H]- 273.033194 158.0
[M+NH4]+ 292.074293 176.1
[M+K]+ 313.003628 161.4
[M+H-H2O]+ 257.037730 150.7
[M+HCOO]- 319.038671 173.7
[M+CH3COO]- 333.054321 196.6
[M+Na-2H]- 295.015136 157.7
[M]+ 274.03992142 161.1
[M]- 274.04101858 161.1
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.