CID 137951723

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

Structural Information

Molecular Formula
C6H9Cl2NO
SMILES
CN1CC(C1=O)(CCl)CCl
InChI
InChI=1S/C6H9Cl2NO/c1-9-4-6(2-7,3-8)5(9)10/h2-4H2,1H3
InChIKey
HRFDIZZYNBLUKX-UHFFFAOYSA-N
Compound name
3,3-bis(chloromethyl)-1-methylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.00612 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.01340 126.2
[M+Na]+ 203.99534 135.2
[M+NH4]+ 199.03994 132.4
[M+K]+ 219.96928 129.0
[M-H]- 179.99884 124.3
[M+Na-2H]- 201.98079 130.9
[M]+ 181.00557 126.5
[M]- 181.00667 126.5
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.