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 147.3
[M+Na]+ 272.01728 161.2
[M-H]- 248.02078 145.0
[M+NH4]+ 267.06188 165.0
[M+K]+ 287.99122 155.3
[M+H-H2O]+ 232.02532 137.8
[M+HCOO]- 294.02626 160.4
[M+CH3COO]- 308.04191 191.8
[M+Na-2H]- 270.00273 153.1
[M]+ 249.02751 148.8
[M]- 249.02861 148.8
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.