CID 2775648

386704-15-0

Structural Information

Molecular Formula
C10H8F3NO3
SMILES
COC(=O)CC(=O)C1=CN=C(C=C1)C(F)(F)F
InChI
InChI=1S/C10H8F3NO3/c1-17-9(16)4-7(15)6-2-3-8(14-5-6)10(11,12)13/h2-3,5H,4H2,1H3
InChIKey
YXRIRKKHNGRGRZ-UHFFFAOYSA-N
Compound name
methyl 3-oxo-3-[6-(trifluoromethyl)pyridin-3-yl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.04562 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.05290 155.0
[M+Na]+ 270.03484 162.9
[M+NH4]+ 265.07944 158.5
[M+K]+ 286.00878 159.4
[M-H]- 246.03834 149.8
[M+Na-2H]- 268.02029 157.4
[M]+ 247.04507 154.1
[M]- 247.04617 154.1
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

No patent data available for this compound.