CID 69876

Cyclopropyl 4-fluorophenyl ketone

Structural Information

Molecular Formula
C10H9FO
SMILES
C1CC1C(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C10H9FO/c11-9-5-3-8(4-6-9)10(12)7-1-2-7/h3-7H,1-2H2
InChIKey
MHKHJIJXMVHRAJ-UHFFFAOYSA-N
Compound name
cyclopropyl-(4-fluorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

336
Patents

164.06374 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.071016 128.5
[M+Na]+ 187.052958 138.3
[M-H]- 163.056464 135.2
[M+NH4]+ 182.097563 144.4
[M+K]+ 203.026898 135.5
[M+H-H2O]+ 147.061000 121.3
[M+HCOO]- 209.061941 151.8
[M+CH3COO]- 223.077591 182.1
[M+Na-2H]- 185.038406 134.6
[M]+ 164.06319142 129.3
[M]- 164.06428858 129.3
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