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

157
Patents

108.03867 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.045946 115.4
[M+Na]+ 131.027888 124.3
[M-H]- 107.031394 113.7
[M+NH4]+ 126.072493 138.5
[M+K]+ 147.001828 124.2
[M+H-H2O]+ 91.035930 110.3
[M+HCOO]- 153.036871 136.7
[M+CH3COO]- 167.052521 168.1
[M+Na-2H]- 129.013336 123.2
[M]+ 108.03812142 113.8
[M]- 108.03921858 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