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

13
Patents

217.02184 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.02912 138.0
[M+Na]+ 240.01106 151.6
[M-H]- 216.01456 136.9
[M+NH4]+ 235.05566 156.8
[M+K]+ 255.98500 146.4
[M+H-H2O]+ 200.01910 129.2
[M+HCOO]- 262.02004 153.1
[M+CH3COO]- 276.03569 151.4
[M+Na-2H]- 237.99651 143.2
[M]+ 217.02129 140.3
[M]- 217.02239 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