CID 75176191

Methyl 3-iodo-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxylate

Structural Information

Molecular Formula
C10H6F3IN2O2
SMILES
COC(=O)C1=CN2C(=NC(=C2I)C(F)(F)F)C=C1
InChI
InChI=1S/C10H6F3IN2O2/c1-18-9(17)5-2-3-6-15-7(10(11,12)13)8(14)16(6)4-5/h2-4H,1H3
InChIKey
ODFUCWKCMZGKHW-UHFFFAOYSA-N
Compound name
methyl 3-iodo-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.9426 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.94988 152.6
[M+Na]+ 392.93182 157.8
[M-H]- 368.93532 145.2
[M+NH4]+ 387.97642 165.3
[M+K]+ 408.90576 160.2
[M+H-H2O]+ 352.93986 140.3
[M+HCOO]- 414.94080 166.2
[M+CH3COO]- 428.95645 202.1
[M+Na-2H]- 390.91727 146.1
[M]+ 369.94205 151.1
[M]- 369.94315 151.1
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.