CID 137964015

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

Structural Information

Molecular Formula
C7H11Cl2NO
SMILES
CCN1CC(C1=O)(CCl)CCl
InChI
InChI=1S/C7H11Cl2NO/c1-2-10-5-7(3-8,4-9)6(10)11/h2-5H2,1H3
InChIKey
IQUOQDMXBNEWTC-UHFFFAOYSA-N
Compound name
3,3-bis(chloromethyl)-1-ethylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.02177 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.02905 129.6
[M+Na]+ 218.01099 139.2
[M-H]- 194.01449 131.4
[M+NH4]+ 213.05559 145.2
[M+K]+ 233.98493 137.6
[M+H-H2O]+ 178.01903 122.4
[M+HCOO]- 240.01997 141.5
[M+CH3COO]- 254.03562 185.6
[M+Na-2H]- 215.99644 135.2
[M]+ 195.02122 141.5
[M]- 195.02232 141.5
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.