CID 25248227

6-chloro-4-(difluoromethyl)-2-methyl-2h-pyrazolo[3,4-b]pyridine

Structural Information

Molecular Formula
C8H6ClF2N3
SMILES
CN1C=C2C(=CC(=NC2=N1)Cl)C(F)F
InChI
InChI=1S/C8H6ClF2N3/c1-14-3-5-4(7(10)11)2-6(9)12-8(5)13-14/h2-3,7H,1H3
InChIKey
ZGIPSGLHVTYXQR-UHFFFAOYSA-N
Compound name
6-chloro-4-(difluoromethyl)-2-methylpyrazolo[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

217.02184 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.029116 138.0
[M+Na]+ 240.011058 151.6
[M-H]- 216.014564 136.9
[M+NH4]+ 235.055663 156.8
[M+K]+ 255.984998 146.4
[M+H-H2O]+ 200.019100 129.2
[M+HCOO]- 262.020041 153.1
[M+CH3COO]- 276.035691 151.4
[M+Na-2H]- 237.996506 143.2
[M]+ 217.02129142 140.3
[M]- 217.02238858 140.3
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

patents stripe