CID 83261870

4-(difluoromethyl)cyclohexan-1-one

Structural Information

Molecular Formula
C7H10F2O
SMILES
C1CC(=O)CCC1C(F)F
InChI
InChI=1S/C7H10F2O/c8-7(9)5-1-3-6(10)4-2-5/h5,7H,1-4H2
InChIKey
UBAVCNQFDDBTHC-UHFFFAOYSA-N
Compound name
4-(difluoromethyl)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

148.06998 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.077256 127.5
[M+Na]+ 171.059198 133.6
[M-H]- 147.062704 128.0
[M+NH4]+ 166.103803 148.6
[M+K]+ 187.033138 132.5
[M+H-H2O]+ 131.067240 120.7
[M+HCOO]- 193.068181 145.6
[M+CH3COO]- 207.083831 175.0
[M+Na-2H]- 169.044646 130.7
[M]+ 148.06943142 120.4
[M]- 148.07052858 120.4
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