CID 3074863

N-(2-chloroethyl)-3-(3-chloropropyl)-1,3,2-oxazaphospholidin-2-amine 2-oxide

Structural Information

Molecular Formula
C7H15Cl2N2O2P
SMILES
C1COP(=O)(N1CCCCl)NCCCl
InChI
InChI=1S/C7H15Cl2N2O2P/c8-2-1-5-11-6-7-13-14(11,12)10-4-3-9/h1-7H2,(H,10,12)
InChIKey
GOFQXNUKBMVGOJ-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-3-(3-chloropropyl)-2-oxo-1,3,2lambda5-oxazaphospholidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.0248 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.03208 152.4
[M+Na]+ 283.01402 160.0
[M-H]- 259.01752 153.0
[M+NH4]+ 278.05862 171.7
[M+K]+ 298.98796 156.8
[M+H-H2O]+ 243.02206 145.7
[M+HCOO]- 305.02300 170.0
[M+CH3COO]- 319.03865 192.8
[M+Na-2H]- 280.99947 154.3
[M]+ 260.02425 156.3
[M]- 260.02535 156.3
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.