CID 7080

Naphthacene

Structural Information

Molecular Formula

C₁₈H₁₂

SMILES

C1=CC=C2C=C3C=C4C=CC=CC4=CC3=CC2=C1

InChI

InChI=1S/C18H12/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1/h1-12H

InChIKey

IFLREYGFSNHWGE-UHFFFAOYSA-N

Compound name

tetracene

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 157
References: 69340
Patents: 228.0939 Da
Monoisotopic Mass: 5.9
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]+	229.10118	147.5
[M+Na]+	251.08312	158.0
[M-H]-	227.08662	154.3
[M+NH4]+	246.12772	168.6
[M+K]+	267.05706	151.4
[M+H-H2O]+	211.09116	139.9
[M+HCOO]-	273.09210	169.7
[M+CH3COO]-	287.10775	161.1
[M+Na-2H]-	249.06857	159.6
[M]+	228.09335	148.6
[M]-	228.09445	148.6

Literature stripe

literature stripe

Patent stripe

patents stripe