CID 54731

O-(2h-indazol-2-yl)benzonitrile

Structural Information

Molecular Formula

C₁₄H₉N₃

SMILES

C1=CC=C(C(=C1)C#N)N2C=C3C=CC=CC3=N2

InChI

InChI=1S/C14H9N3/c15-9-11-5-2-4-8-14(11)17-10-12-6-1-3-7-13(12)16-17/h1-8,10H

InChIKey

MKHLUYSLGRTLRE-UHFFFAOYSA-N

Compound name

2-indazol-2-ylbenzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 219.07965 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	220.086926	150.8
[M+Na]+	242.068868	163.7
[M-H]-	218.072374	154.3
[M+NH4]+	237.113473	167.0
[M+K]+	258.042808	155.8
[M+H-H2O]+	202.076910	135.3
[M+HCOO]-	264.077851	170.3
[M+CH3COO]-	278.093501	162.3
[M+Na-2H]-	240.054316	157.3
[M]+	219.07910142	146.8
[M]-	219.08019858	146.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.