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

16
Patents

189.05899 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.066266 134.0
[M+Na]+ 212.048208 144.2
[M-H]- 188.051714 139.4
[M+NH4]+ 207.092813 147.9
[M+K]+ 228.022148 143.6
[M+H-H2O]+ 172.056250 117.6
[M+HCOO]- 234.057191 152.5
[M+CH3COO]- 248.072841 197.3
[M+Na-2H]- 210.033656 139.9
[M]+ 189.05844142 135.6
[M]- 189.05953858 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