CID 53484511

1246765-49-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

176
Patents

120.03867 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.04595 127.4
[M+Na]+ 143.02789 132.9
[M+NH4]+ 138.07249 132.3
[M+K]+ 159.00183 127.5
[M-H]- 119.03139 123.3
[M+Na-2H]- 141.01334 130.3
[M]+ 120.03812 125.8
[M]- 120.03922 125.8
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