CID 3067345

3-(2h-indazol-2-yl)benzonitrile

Structural Information

Molecular Formula
C14H9N3
SMILES
C1=CC2=CN(N=C2C=C1)C3=CC=CC(=C3)C#N
InChI
InChI=1S/C14H9N3/c15-9-11-4-3-6-13(8-11)17-10-12-5-1-2-7-14(12)16-17/h1-8,10H
InChIKey
IETRONPRJQXZBZ-UHFFFAOYSA-N
Compound name
3-indazol-2-ylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

219.07965 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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

patents stripe