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

15
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 134.0
[M+Na]+ 212.04821 144.2
[M-H]- 188.05171 139.4
[M+NH4]+ 207.09281 147.9
[M+K]+ 228.02215 143.6
[M+H-H2O]+ 172.05625 117.6
[M+HCOO]- 234.05719 152.5
[M+CH3COO]- 248.07284 197.3
[M+Na-2H]- 210.03366 139.9
[M]+ 189.05844 135.6
[M]- 189.05954 135.6
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