CID 112582640

1566750-42-2

Structural Information

Molecular Formula
C8H5F2N3O2
SMILES
C1=CN=C2C(=C1C(=O)O)NC(=N2)C(F)F
InChI
InChI=1S/C8H5F2N3O2/c9-5(10)7-12-4-3(8(14)15)1-2-11-6(4)13-7/h1-2,5H,(H,14,15)(H,11,12,13)
InChIKey
ZUZFUEBNMODBIO-UHFFFAOYSA-N
Compound name
2-(difluoromethyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.03499 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.042266 138.8
[M+Na]+ 236.024208 149.8
[M-H]- 212.027714 135.3
[M+NH4]+ 231.068813 155.1
[M+K]+ 251.998148 145.6
[M+H-H2O]+ 196.032250 130.1
[M+HCOO]- 258.033191 155.4
[M+CH3COO]- 272.048841 181.3
[M+Na-2H]- 234.009656 143.3
[M]+ 213.03444142 136.8
[M]- 213.03553858 136.8
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.