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

14
Patents

138.04924 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.056516 123.7
[M+Na]+ 161.038458 131.4
[M-H]- 137.041964 121.4
[M+NH4]+ 156.083063 145.3
[M+K]+ 177.012398 131.4
[M+H-H2O]+ 121.046500 117.4
[M+HCOO]- 183.047441 145.4
[M+CH3COO]- 197.063091 173.6
[M+Na-2H]- 159.023906 129.0
[M]+ 138.04869142 123.7
[M]- 138.04978858 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