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]+ 208.02905 133.3
[M+Na]+ 230.01099 143.4
[M-H]- 206.01449 138.4
[M+NH4]+ 225.05559 143.6
[M+K]+ 245.98493 141.4
[M+H-H2O]+ 190.01903 124.9
[M+HCOO]- 252.01997 145.0
[M+CH3COO]- 266.03562 190.1
[M+Na-2H]- 227.99644 138.4
[M]+ 207.02122 145.9
[M]- 207.02232 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.