CID 12768266

{bicyclo[2.2.1]heptan-2-yl}(2-fluorophenyl)methanone

Structural Information

Molecular Formula
C14H15FO
SMILES
C1CC2CC1CC2C(=O)C3=CC=CC=C3F
InChI
InChI=1S/C14H15FO/c15-13-4-2-1-3-11(13)14(16)12-8-9-5-6-10(12)7-9/h1-4,9-10,12H,5-8H2
InChIKey
PTUQUROZVZXYQT-UHFFFAOYSA-N
Compound name
2-bicyclo[2.2.1]heptanyl-(2-fluorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.11069 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.11797 149.6
[M+Na]+ 241.09991 156.6
[M-H]- 217.10341 154.4
[M+NH4]+ 236.14451 173.2
[M+K]+ 257.07385 152.8
[M+H-H2O]+ 201.10795 143.6
[M+HCOO]- 263.10889 169.2
[M+CH3COO]- 277.12454 162.2
[M+Na-2H]- 239.08536 150.2
[M]+ 218.11014 146.5
[M]- 218.11124 146.5
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.