CID 469512

Methyl 4-[3-acetoxy-2-(4-fluorophenyl)-4-oxo-azetidin-1-yl]benzoate

Structural Information

Molecular Formula
C19H16FNO5
SMILES
CC(=O)OC1C(N(C1=O)C2=CC=C(C=C2)C(=O)OC)C3=CC=C(C=C3)F
InChI
InChI=1S/C19H16FNO5/c1-11(22)26-17-16(12-3-7-14(20)8-4-12)21(18(17)23)15-9-5-13(6-10-15)19(24)25-2/h3-10,16-17H,1-2H3
InChIKey
HCKXBEUGTZQBEE-UHFFFAOYSA-N
Compound name
methyl 4-[3-acetyloxy-2-(4-fluorophenyl)-4-oxoazetidin-1-yl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.10126 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.10854 179.1
[M+Na]+ 380.09048 185.7
[M-H]- 356.09398 186.1
[M+NH4]+ 375.13508 183.8
[M+K]+ 396.06442 186.1
[M+H-H2O]+ 340.09852 163.3
[M+HCOO]- 402.09946 196.7
[M+CH3COO]- 416.11511 217.4
[M+Na-2H]- 378.07593 177.5
[M]+ 357.10071 190.2
[M]- 357.10181 190.2
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.