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]+ 166.066266 127.4
[M+Na]+ 188.048208 135.6
[M-H]- 164.051714 131.8
[M+NH4]+ 183.092813 140.5
[M+K]+ 204.022148 136.1
[M+H-H2O]+ 148.056250 115.1
[M+HCOO]- 210.057191 148.4
[M+CH3COO]- 224.072841 181.7
[M+Na-2H]- 186.033656 133.6
[M]+ 165.05844142 134.1
[M]- 165.05953858 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.