CID 9190

Benzo[c]cinnoline

Structural Information

Molecular Formula

C₁₂H₈N₂

SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3N=N2

InChI

InChI=1S/C12H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)14-13-11/h1-8H

InChIKey

SWJXWSAKHXBQSY-UHFFFAOYSA-N

Compound name

benzo[c]cinnoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 22
References: 1397
Patents: 180.06874 Da
Monoisotopic Mass: 2.4
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]+	181.07602	135.3
[M+Na]+	203.05796	153.7
[M+NH4]+	198.10256	146.2
[M+K]+	219.03190	144.1
[M-H]-	179.06146	139.7
[M+Na-2H]-	201.04341	146.2
[M]+	180.06819	139.5
[M]-	180.06929	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe