CID 89018413

1-(3,3-difluorocyclobutyl)propan-1-one

Structural Information

Molecular Formula
C7H10F2O
SMILES
CCC(=O)C1CC(C1)(F)F
InChI
InChI=1S/C7H10F2O/c1-2-6(10)5-3-7(8,9)4-5/h5H,2-4H2,1H3
InChIKey
BBFJYNGQJZVPQS-UHFFFAOYSA-N
Compound name
1-(3,3-difluorocyclobutyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

148.06998 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.077256 128.2
[M+Na]+ 171.059198 135.3
[M-H]- 147.062704 129.7
[M+NH4]+ 166.103803 145.1
[M+K]+ 187.033138 137.2
[M+H-H2O]+ 131.067240 118.3
[M+HCOO]- 193.068181 147.3
[M+CH3COO]- 207.083831 179.8
[M+Na-2H]- 169.044646 132.5
[M]+ 148.06943142 134.0
[M]- 148.07052858 134.0
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