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 175.1
[M+Na]+ 368.05929 188.6
[M-H]- 344.06279 172.8
[M+NH4]+ 363.10389 187.8
[M+K]+ 384.03323 181.1
[M+H-H2O]+ 328.06733 161.6
[M+HCOO]- 390.06827 187.2
[M+CH3COO]- 404.08392 211.0
[M+Na-2H]- 366.04474 178.6
[M]+ 345.06952 170.6
[M]- 345.07062 170.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.