CID 137963820

3,3-bis(chloromethyl)-1-cyclopropylazetidin-2-one

Structural Information

Molecular Formula
C8H11Cl2NO
SMILES
C1CC1N2CC(C2=O)(CCl)CCl
InChI
InChI=1S/C8H11Cl2NO/c9-3-8(4-10)5-11(7(8)12)6-1-2-6/h6H,1-5H2
InChIKey
BXBRGAGSUZQYAP-UHFFFAOYSA-N
Compound name
3,3-bis(chloromethyl)-1-cyclopropylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.02177 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.029046 133.3
[M+Na]+ 230.010988 143.4
[M-H]- 206.014494 138.4
[M+NH4]+ 225.055593 143.6
[M+K]+ 245.984928 141.4
[M+H-H2O]+ 190.019030 124.9
[M+HCOO]- 252.019971 145.0
[M+CH3COO]- 266.035621 190.1
[M+Na-2H]- 227.996436 138.4
[M]+ 207.02122142 145.9
[M]- 207.02231858 145.9
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.