CID 17868745

3,3-difluorobutanal

Structural Information

Molecular Formula
C4H6F2O
SMILES
CC(CC=O)(F)F
InChI
InChI=1S/C4H6F2O/c1-4(5,6)2-3-7/h3H,2H2,1H3
InChIKey
OQKCIWIPJRDGHN-UHFFFAOYSA-N
Compound name
3,3-difluorobutanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

153
Patents

108.03867 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.04595 115.4
[M+Na]+ 131.02789 124.3
[M-H]- 107.03139 113.7
[M+NH4]+ 126.07249 138.5
[M+K]+ 147.00183 124.2
[M+H-H2O]+ 91.035930 110.3
[M+HCOO]- 153.03687 136.7
[M+CH3COO]- 167.05252 168.1
[M+Na-2H]- 129.01334 123.2
[M]+ 108.03812 113.8
[M]- 108.03922 113.8
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