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 147.1
[M+Na]+ 251.03465 164.8
[M+NH4]+ 246.07925 157.3
[M+K]+ 267.00859 157.1
[M-H]- 227.03815 151.6
[M+Na-2H]- 249.02010 157.6
[M]+ 228.04488 151.5
[M]- 228.04598 151.5
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

No patent data available for this compound.