CID 214920

34580-77-3

Structural Information

Molecular Formula
C13H8F3N3O
SMILES
C1=CC(=CC(=C1)N2C3=C(C=CC=N3)C(=O)N2)C(F)(F)F
InChI
InChI=1S/C13H8F3N3O/c14-13(15,16)8-3-1-4-9(7-8)19-11-10(12(20)18-19)5-2-6-17-11/h1-7H,(H,18,20)
InChIKey
VJHQMBJCNXSDHH-UHFFFAOYSA-N
Compound name
1-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.06195 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.06923 158.1
[M+Na]+ 302.05117 170.7
[M-H]- 278.05467 158.0
[M+NH4]+ 297.09577 172.5
[M+K]+ 318.02511 163.7
[M+H-H2O]+ 262.05921 147.2
[M+HCOO]- 324.06015 174.8
[M+CH3COO]- 338.07580 169.5
[M+Na-2H]- 300.03662 164.1
[M]+ 279.06140 155.7
[M]- 279.06250 155.7
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.