CID 555240

3-methyl-1-phenyl-4,6-bis(trifluoromethyl)-1h-pyrazolo[3,4-b]pyridine

Structural Information

Molecular Formula
C15H9F6N3
SMILES
CC1=NN(C2=C1C(=CC(=N2)C(F)(F)F)C(F)(F)F)C3=CC=CC=C3
InChI
InChI=1S/C15H9F6N3/c1-8-12-10(14(16,17)18)7-11(15(19,20)21)22-13(12)24(23-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKey
SBMHJHSFJKIETP-UHFFFAOYSA-N
Compound name
3-methyl-1-phenyl-4,6-bis(trifluoromethyl)pyrazolo[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.07007 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.07735 176.1
[M+Na]+ 368.05929 183.1
[M+NH4]+ 363.10389 178.1
[M+K]+ 384.03323 179.9
[M-H]- 344.06279 170.5
[M+Na-2H]- 366.04474 178.5
[M]+ 345.06952 175.2
[M]- 345.07062 175.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

No patent data available for this compound.