CID 82007140

3-(2,2-difluoroethoxy)propanal

Structural Information

Molecular Formula
C5H8F2O2
SMILES
C(COCC(F)F)C=O
InChI
InChI=1S/C5H8F2O2/c6-5(7)4-9-3-1-2-8/h2,5H,1,3-4H2
InChIKey
AHTNTCOLJAREJG-UHFFFAOYSA-N
Compound name
3-(2,2-difluoroethoxy)propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

138.04924 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.05652 123.7
[M+Na]+ 161.03846 131.4
[M-H]- 137.04196 121.4
[M+NH4]+ 156.08306 145.3
[M+K]+ 177.01240 131.4
[M+H-H2O]+ 121.04650 117.4
[M+HCOO]- 183.04744 145.4
[M+CH3COO]- 197.06309 173.6
[M+Na-2H]- 159.02391 129.0
[M]+ 138.04869 123.7
[M]- 138.04979 123.7
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