CID 132398783

5-fluoro-2,2-dimethylcyclopentan-1-one

Structural Information

Molecular Formula
C7H11FO
SMILES
CC1(CCC(C1=O)F)C
InChI
InChI=1S/C7H11FO/c1-7(2)4-3-5(8)6(7)9/h5H,3-4H2,1-2H3
InChIKey
APSXXQAHSABFPB-UHFFFAOYSA-N
Compound name
5-fluoro-2,2-dimethylcyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

130.07939 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.08667 122.4
[M+Na]+ 153.06861 131.6
[M-H]- 129.07211 125.2
[M+NH4]+ 148.11321 148.6
[M+K]+ 169.04255 130.5
[M+H-H2O]+ 113.07665 118.2
[M+HCOO]- 175.07759 144.8
[M+CH3COO]- 189.09324 171.8
[M+Na-2H]- 151.05406 126.9
[M]+ 130.07884 120.0
[M]- 130.07994 120.0
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

No patent data available for this compound.