CID 53403957

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

Structural Information

Molecular Formula
C10H9FO
SMILES
C1C(CC1=O)C2=CC=CC=C2F
InChI
InChI=1S/C10H9FO/c11-10-4-2-1-3-9(10)7-5-8(12)6-7/h1-4,7H,5-6H2
InChIKey
ZNHOEHONJNYTDA-UHFFFAOYSA-N
Compound name
3-(2-fluorophenyl)cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

164.06374 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.07102 126.6
[M+Na]+ 187.05296 134.5
[M-H]- 163.05646 132.4
[M+NH4]+ 182.09756 141.2
[M+K]+ 203.02690 134.9
[M+H-H2O]+ 147.06100 115.3
[M+HCOO]- 209.06194 148.7
[M+CH3COO]- 223.07759 182.1
[M+Na-2H]- 185.03841 132.4
[M]+ 164.06319 133.2
[M]- 164.06429 133.2
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