CID 58816550

106109-76-6

Structural Information

Molecular Formula
C11H10F3NO3
SMILES
COC(=O)CC(=O)NC1=CC=CC(=C1)C(F)(F)F
InChI
InChI=1S/C11H10F3NO3/c1-18-10(17)6-9(16)15-8-4-2-3-7(5-8)11(12,13)14/h2-5H,6H2,1H3,(H,15,16)
InChIKey
QRPBJQWTQNKESS-UHFFFAOYSA-N
Compound name
methyl 3-oxo-3-[3-(trifluoromethyl)anilino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

261.06128 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.06856 157.9
[M+Na]+ 284.05050 164.8
[M+NH4]+ 279.09510 161.7
[M+K]+ 300.02444 161.2
[M-H]- 260.05400 153.7
[M+Na-2H]- 282.03595 160.3
[M]+ 261.06073 157.2
[M]- 261.06183 157.2
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