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 144.9
[M+Na]+ 151.05296 149.9
[M-H]- 127.05646 147.8
[M+NH4]+ 146.09756 152.8
[M+K]+ 167.02690 155.3
[M+H-H2O]+ 111.06100 132.7
[M+HCOO]- 173.06194 157.4
[M+CH3COO]- 187.07759 203.0
[M+Na-2H]- 149.03841 151.3
[M]+ 128.06319 168.6
[M]- 128.06429 168.6
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