CID 86767800

3-(difluoromethyl)cyclobutan-1-one

Structural Information

Molecular Formula
C5H6F2O
SMILES
C1C(CC1=O)C(F)F
InChI
InChI=1S/C5H6F2O/c6-5(7)3-1-4(8)2-3/h3,5H,1-2H2
InChIKey
UDAWRARKBZEJTR-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

120.03867 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.04595 117.6
[M+Na]+ 143.02789 124.6
[M-H]- 119.03139 119.0
[M+NH4]+ 138.07249 133.6
[M+K]+ 159.00183 127.0
[M+H-H2O]+ 103.03593 106.7
[M+HCOO]- 165.03687 137.4
[M+CH3COO]- 179.05252 174.4
[M+Na-2H]- 141.01334 122.0
[M]+ 120.03812 122.4
[M]- 120.03922 122.4
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