CID 12654271

77972-82-8

Structural Information

Molecular Formula
C10H9FO
SMILES
C1CC1C(=O)C2=CC(=CC=C2)F
InChI
InChI=1S/C10H9FO/c11-9-3-1-2-8(6-9)10(12)7-4-5-7/h1-3,6-7H,4-5H2
InChIKey
AUPNNIFXPWYLBS-UHFFFAOYSA-N
Compound name
cyclopropyl-(3-fluorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.