CID 61740116

2-(2,2,2-trifluoroethoxy)acetaldehyde

Structural Information

Molecular Formula
C4H5F3O2
SMILES
C(C=O)OCC(F)(F)F
InChI
InChI=1S/C4H5F3O2/c5-4(6,7)3-9-2-1-8/h1H,2-3H2
InChIKey
KOUIXWFSBUVCEK-UHFFFAOYSA-N
Compound name
2-(2,2,2-trifluoroethoxy)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

142.02417 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.03145 121.3
[M+Na]+ 165.01339 130.3
[M-H]- 141.01689 118.1
[M+NH4]+ 160.05799 142.9
[M+K]+ 180.98733 130.1
[M+H-H2O]+ 125.02143 114.9
[M+HCOO]- 187.02237 141.8
[M+CH3COO]- 201.03802 172.2
[M+Na-2H]- 162.99884 128.5
[M]+ 142.02362 119.8
[M]- 142.02472 119.8
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