CID 81343114

Methyl 3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate

Structural Information

Molecular Formula
C9H7F2N3O2
SMILES
COC(=O)C1=CN2C(=NN=C2C(F)F)C=C1
InChI
InChI=1S/C9H7F2N3O2/c1-16-9(15)5-2-3-6-12-13-8(7(10)11)14(6)4-5/h2-4,7H,1H3
InChIKey
ZKBVKHMXSCBUSP-UHFFFAOYSA-N
Compound name
methyl 3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.05063 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.05791 142.8
[M+Na]+ 250.03985 154.2
[M-H]- 226.04335 141.8
[M+NH4]+ 245.08445 160.0
[M+K]+ 266.01379 151.5
[M+H-H2O]+ 210.04789 133.3
[M+HCOO]- 272.04883 162.0
[M+CH3COO]- 286.06448 188.6
[M+Na-2H]- 248.02530 147.6
[M]+ 227.05008 144.7
[M]- 227.05118 144.7
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.