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

11
Patents

164.06374 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.071016 126.6
[M+Na]+ 187.052958 134.5
[M-H]- 163.056464 132.4
[M+NH4]+ 182.097563 141.2
[M+K]+ 203.026898 134.9
[M+H-H2O]+ 147.061000 115.3
[M+HCOO]- 209.061941 148.7
[M+CH3COO]- 223.077591 182.1
[M+Na-2H]- 185.038406 132.4
[M]+ 164.06319142 133.2
[M]- 164.06428858 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