CID 25248113

6-chloro-2-ethyl-4-(trifluoromethyl)-2h-pyrazolo[3,4-b]pyridine

Structural Information

Molecular Formula
C9H7ClF3N3
SMILES
CCN1C=C2C(=CC(=NC2=N1)Cl)C(F)(F)F
InChI
InChI=1S/C9H7ClF3N3/c1-2-16-4-5-6(9(11,12)13)3-7(10)14-8(5)15-16/h3-4H,2H2,1H3
InChIKey
QCAHFSJRCBNOBW-UHFFFAOYSA-N
Compound name
6-chloro-2-ethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.02806 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.03534 148.6
[M+Na]+ 272.01728 160.0
[M+NH4]+ 267.06188 154.2
[M+K]+ 287.99122 155.9
[M-H]- 248.02078 144.7
[M+Na-2H]- 270.00273 152.9
[M]+ 249.02751 149.2
[M]- 249.02861 149.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.