CID 146081973

2,2-difluorocyclobutane-1-carbaldehyde

Structural Information

Molecular Formula
C5H6F2O
SMILES
C1CC(C1C=O)(F)F
InChI
InChI=1S/C5H6F2O/c6-5(7)2-1-4(5)3-8/h3-4H,1-2H2
InChIKey
RFMBFUBHPPLKAI-UHFFFAOYSA-N
Compound name
2,2-difluorocyclobutane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 116.9
[M+Na]+ 143.02789 125.2
[M-H]- 119.03139 118.8
[M+NH4]+ 138.07249 135.0
[M+K]+ 159.00183 127.2
[M+H-H2O]+ 103.03593 107.5
[M+HCOO]- 165.03687 137.8
[M+CH3COO]- 179.05252 173.1
[M+Na-2H]- 141.01334 123.8
[M]+ 120.03812 122.7
[M]- 120.03922 122.7
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