CID 57355194

885271-19-2

Structural Information

Molecular Formula
C12H8ClN3
SMILES
C1=CC2=C(C=C1C3=CN=C(C=C3)Cl)C=NN2
InChI
InChI=1S/C12H8ClN3/c13-12-4-2-9(6-14-12)8-1-3-11-10(5-8)7-15-16-11/h1-7H,(H,15,16)
InChIKey
YMHCGCMYFSRUQK-UHFFFAOYSA-N
Compound name
5-(6-chloropyridin-3-yl)-1H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.04068 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.04796 146.8
[M+Na]+ 252.02990 159.0
[M-H]- 228.03340 149.7
[M+NH4]+ 247.07450 163.8
[M+K]+ 268.00384 151.6
[M+H-H2O]+ 212.03794 138.3
[M+HCOO]- 274.03888 163.5
[M+CH3COO]- 288.05453 159.6
[M+Na-2H]- 250.01535 154.6
[M]+ 229.04013 148.6
[M]- 229.04123 148.6
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.