CID 64905839

1340251-32-2

Structural Information

Molecular Formula
C11H8FNO
SMILES
C1C(=O)CC1(C#N)C2=CC=C(C=C2)F
InChI
InChI=1S/C11H8FNO/c12-9-3-1-8(2-4-9)11(7-13)5-10(14)6-11/h1-4H,5-6H2
InChIKey
DITZGEPCGHBJSP-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-3-oxocyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

189.05899 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.06627 142.0
[M+Na]+ 212.04821 150.5
[M+NH4]+ 207.09281 144.7
[M+K]+ 228.02215 140.7
[M-H]- 188.05171 134.6
[M+Na-2H]- 210.03366 145.6
[M]+ 189.05844 139.5
[M]- 189.05954 139.5
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

patents stripe