CID 93396

Methyl 2,2,3-trifluoro-3-oxopropanoate

Structural Information

Molecular Formula
C4H3F3O3
SMILES
COC(=O)C(C(=O)F)(F)F
InChI
InChI=1S/C4H3F3O3/c1-10-3(9)4(6,7)2(5)8/h1H3
InChIKey
JNUANKSYWLJTDJ-UHFFFAOYSA-N
Compound name
methyl 2,2,3-trifluoro-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

39
Patents

156.00343 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.01071 134.1
[M+Na]+ 178.99265 140.5
[M+NH4]+ 174.03725 138.2
[M+K]+ 194.96659 138.1
[M-H]- 154.99615 127.3
[M+Na-2H]- 176.97810 134.6
[M]+ 156.00288 132.5
[M]- 156.00398 132.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe