CID 45085296

262852-00-6

Structural Information

Molecular Formula
C7H9FO
SMILES
CC(=O)C12CC(C1)(C2)F
InChI
InChI=1S/C7H9FO/c1-5(9)6-2-7(8,3-6)4-6/h2-4H2,1H3
InChIKey
GEEQUEPLYKWIQD-UHFFFAOYSA-N
Compound name
1-(3-fluoro-1-bicyclo[1.1.1]pentanyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

128.06374 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.07102 144.2
[M+Na]+ 151.05296 141.3
[M+NH4]+ 146.09756 144.1
[M+K]+ 167.02690 138.8
[M-H]- 127.05646 136.4
[M+Na-2H]- 149.03841 140.6
[M]+ 128.06319 139.0
[M]- 128.06429 139.0
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