CID 112699118

1-cyclopentyl-2,2-difluoroethan-1-one

Structural Information

Molecular Formula
C7H10F2O
SMILES
C1CCC(C1)C(=O)C(F)F
InChI
InChI=1S/C7H10F2O/c8-7(9)6(10)5-3-1-2-4-5/h5,7H,1-4H2
InChIKey
JZJBUMLNJWXSLO-UHFFFAOYSA-N
Compound name
1-cyclopentyl-2,2-difluoroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.06998 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.077256 129.5
[M+Na]+ 171.059198 135.3
[M-H]- 147.062704 129.9
[M+NH4]+ 166.103803 152.0
[M+K]+ 187.033138 134.6
[M+H-H2O]+ 131.067240 122.7
[M+HCOO]- 193.068181 148.7
[M+CH3COO]- 207.083831 174.5
[M+Na-2H]- 169.044646 130.7
[M]+ 148.06943142 123.5
[M]- 148.07052858 123.5
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.