CID 89618372

6-chloro-4-(difluoromethyl)-1h-pyrazolo[3,4-b]pyridine

Structural Information

Molecular Formula
C7H4ClF2N3
SMILES
C1=C(C2=C(NN=C2)N=C1Cl)C(F)F
InChI
InChI=1S/C7H4ClF2N3/c8-5-1-3(6(9)10)4-2-11-13-7(4)12-5/h1-2,6H,(H,11,12,13)
InChIKey
SNBVFDYOBDIBEK-UHFFFAOYSA-N
Compound name
6-chloro-4-(difluoromethyl)-1H-pyrazolo[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

203.00618 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.01346 133.3
[M+Na]+ 225.99540 146.1
[M-H]- 201.99890 130.7
[M+NH4]+ 221.04000 151.8
[M+K]+ 241.96934 140.3
[M+H-H2O]+ 186.00344 124.8
[M+HCOO]- 248.00438 147.4
[M+CH3COO]- 262.02003 146.2
[M+Na-2H]- 223.98085 139.4
[M]+ 203.00563 133.1
[M]- 203.00673 133.1
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