CID 70700586

4-chloro-3-phenyl-1h-indazole

Structural Information

Molecular Formula
C13H9ClN2
SMILES
C1=CC=C(C=C1)C2=NNC3=C2C(=CC=C3)Cl
InChI
InChI=1S/C13H9ClN2/c14-10-7-4-8-11-12(10)13(16-15-11)9-5-2-1-3-6-9/h1-8H,(H,15,16)
InChIKey
PMPBCDZBRDFBQE-UHFFFAOYSA-N
Compound name
4-chloro-3-phenyl-1H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.04543 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.05271 147.0
[M+Na]+ 251.03465 158.9
[M-H]- 227.03815 151.3
[M+NH4]+ 246.07925 165.6
[M+K]+ 267.00859 151.4
[M+H-H2O]+ 211.04269 139.4
[M+HCOO]- 273.04363 164.9
[M+CH3COO]- 287.05928 160.3
[M+Na-2H]- 249.02010 154.4
[M]+ 228.04488 148.8
[M]- 228.04598 148.8
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.