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-chloro-3-pyridinyl)-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]+ 230.047956 146.8
[M+Na]+ 252.029898 159.0
[M-H]- 228.033404 149.7
[M+NH4]+ 247.074503 163.8
[M+K]+ 268.003838 151.6
[M+H-H2O]+ 212.037940 138.3
[M+HCOO]- 274.038881 163.5
[M+CH3COO]- 288.054531 159.6
[M+Na-2H]- 250.015346 154.6
[M]+ 229.04013142 148.6
[M]- 229.04122858 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.