CID 71671570

Methyl 2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxylate

Structural Information

Molecular Formula
C10H7F3N2O2
SMILES
COC(=O)C1=CN2C=C(N=C2C=C1)C(F)(F)F
InChI
InChI=1S/C10H7F3N2O2/c1-17-9(16)6-2-3-8-14-7(10(11,12)13)5-15(8)4-6/h2-5H,1H3
InChIKey
RYRYWRGTTHIMLM-UHFFFAOYSA-N
Compound name
methyl 2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.04596 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.05324 146.8
[M+Na]+ 267.03518 158.7
[M-H]- 243.03868 146.0
[M+NH4]+ 262.07978 164.9
[M+K]+ 283.00912 155.5
[M+H-H2O]+ 227.04322 137.7
[M+HCOO]- 289.04416 165.4
[M+CH3COO]- 303.05981 190.4
[M+Na-2H]- 265.02063 152.5
[M]+ 244.04541 147.4
[M]- 244.04651 147.4
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.