CID 54731

Benzonitrile, o-(2h-indazol-2-yl)-

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.08693 150.8
[M+Na]+ 242.06887 163.7
[M-H]- 218.07237 154.3
[M+NH4]+ 237.11347 167.0
[M+K]+ 258.04281 155.8
[M+H-H2O]+ 202.07691 135.3
[M+HCOO]- 264.07785 170.3
[M+CH3COO]- 278.09350 162.3
[M+Na-2H]- 240.05432 157.3
[M]+ 219.07910 146.8
[M]- 219.08020 146.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.