CID 17019798

834896-55-8

Structural Information

Molecular Formula
C13H10F3N3O
SMILES
CC1=NN(C2=C1C(=CC(=N2)C3=CC=CO3)C(F)(F)F)C
InChI
InChI=1S/C13H10F3N3O/c1-7-11-8(13(14,15)16)6-9(10-4-3-5-20-10)17-12(11)19(2)18-7/h3-6H,1-2H3
InChIKey
OTLZOWXVBUSXRP-UHFFFAOYSA-N
Compound name
6-(furan-2-yl)-1,3-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.0776 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.08488 158.6
[M+Na]+ 304.06682 172.3
[M-H]- 280.07032 161.2
[M+NH4]+ 299.11142 174.6
[M+K]+ 320.04076 168.3
[M+H-H2O]+ 264.07486 148.9
[M+HCOO]- 326.07580 176.6
[M+CH3COO]- 340.09145 171.5
[M+Na-2H]- 302.05227 162.0
[M]+ 281.07705 160.6
[M]- 281.07815 160.6
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.