CID 71757094

1-(3-fluorophenyl)azetidin-2-one

Structural Information

Molecular Formula
C9H8FNO
SMILES
C1CN(C1=O)C2=CC(=CC=C2)F
InChI
InChI=1S/C9H8FNO/c10-7-2-1-3-8(6-7)11-5-4-9(11)12/h1-3,6H,4-5H2
InChIKey
SBSNVYONSDQXQI-UHFFFAOYSA-N
Compound name
1-(3-fluorophenyl)azetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.05899 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.06627 127.4
[M+Na]+ 188.04821 135.6
[M-H]- 164.05171 131.8
[M+NH4]+ 183.09281 140.5
[M+K]+ 204.02215 136.1
[M+H-H2O]+ 148.05625 115.1
[M+HCOO]- 210.05719 148.4
[M+CH3COO]- 224.07284 181.7
[M+Na-2H]- 186.03366 133.6
[M]+ 165.05844 134.1
[M]- 165.05954 134.1
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.