CID 11412571

143589-42-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
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

literature stripe

Patent stripe

patents stripe