CID 140212337

7-bromo-5-chloro-2-methyl-2h-pyrazolo[4,3-b]pyridine

Structural Information

Molecular Formula
C7H5BrClN3
SMILES
CN1C=C2C(=N1)C(=CC(=N2)Cl)Br
InChI
InChI=1S/C7H5BrClN3/c1-12-3-5-7(11-12)4(8)2-6(9)10-5/h2-3H,1H3
InChIKey
NBQDTWSIZWGJFJ-UHFFFAOYSA-N
Compound name
7-bromo-5-chloro-2-methylpyrazolo[4,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

244.93555 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.942826 137.4
[M+Na]+ 267.924768 154.8
[M-H]- 243.928274 142.0
[M+NH4]+ 262.969373 159.2
[M+K]+ 283.898708 142.1
[M+H-H2O]+ 227.932810 137.4
[M+HCOO]- 289.933751 154.1
[M+CH3COO]- 303.949401 153.9
[M+Na-2H]- 265.910216 146.7
[M]+ 244.93500142 160.5
[M]- 244.93609858 160.5
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