CID 115694399

1-cyclobutyl-2,2-difluoroethan-1-one

Structural Information

Molecular Formula
C6H8F2O
SMILES
C1CC(C1)C(=O)C(F)F
InChI
InChI=1S/C6H8F2O/c7-6(8)5(9)4-2-1-3-4/h4,6H,1-3H2
InChIKey
BYFJCTVXGUYEJC-UHFFFAOYSA-N
Compound name
1-cyclobutyl-2,2-difluoroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

134.05432 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.06160 124.4
[M+Na]+ 157.04354 129.9
[M-H]- 133.04704 125.3
[M+NH4]+ 152.08814 139.4
[M+K]+ 173.01748 132.5
[M+H-H2O]+ 117.05158 113.0
[M+HCOO]- 179.05252 142.9
[M+CH3COO]- 193.06817 177.0
[M+Na-2H]- 155.02899 127.6
[M]+ 134.05377 128.5
[M]- 134.05487 128.5
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.