CID 137964016

3-(chloromethyl)-3-methyl-1-(2,2,2-trifluoroethyl)azetidin-2-one

Structural Information

Molecular Formula
C7H9ClF3NO
SMILES
CC1(CN(C1=O)CC(F)(F)F)CCl
InChI
InChI=1S/C7H9ClF3NO/c1-6(2-8)3-12(5(6)13)4-7(9,10)11/h2-4H2,1H3
InChIKey
QFHJISDFFOXUTR-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-3-methyl-1-(2,2,2-trifluoroethyl)azetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.03247 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.03975 136.5
[M+Na]+ 238.02169 146.2
[M-H]- 214.02519 135.5
[M+NH4]+ 233.06629 150.9
[M+K]+ 253.99563 145.4
[M+H-H2O]+ 198.02973 126.4
[M+HCOO]- 260.03067 148.6
[M+CH3COO]- 274.04632 188.7
[M+Na-2H]- 236.00714 141.4
[M]+ 215.03192 143.8
[M]- 215.03302 143.8
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.