CID 119056316

1823404-08-5

Structural Information

Molecular Formula
C9H7F2N3O2
SMILES
CN1C2=C(C=CC(=N2)C(F)F)C(=N1)C(=O)O
InChI
InChI=1S/C9H7F2N3O2/c1-14-8-4(6(13-14)9(15)16)2-3-5(12-8)7(10)11/h2-3,7H,1H3,(H,15,16)
InChIKey
IHFCYTHENFRONG-UHFFFAOYSA-N
Compound name
6-(difluoromethyl)-1-methylpyrazolo[3,4-b]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.05063 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.05791 143.1
[M+Na]+ 250.03985 155.0
[M-H]- 226.04335 141.1
[M+NH4]+ 245.08445 159.8
[M+K]+ 266.01379 151.4
[M+H-H2O]+ 210.04789 134.3
[M+HCOO]- 272.04883 160.8
[M+CH3COO]- 286.06448 188.0
[M+Na-2H]- 248.02530 146.8
[M]+ 227.05008 143.7
[M]- 227.05118 143.7
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.