CID 264192

9-anthracenethiol

Structural Information

Molecular Formula

C₁₄H₁₀S

SMILES

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2S

InChI

InChI=1S/C14H10S/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9,15H

InChIKey

CTUXILQBEJGEAT-UHFFFAOYSA-N

Compound name

anthracene-9-thiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 242
Patents: 210.05032 Da
Monoisotopic Mass: 4.7
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]+	211.05760	139.4
[M+Na]+	233.03954	151.0
[M-H]-	209.04304	145.9
[M+NH4]+	228.08414	161.6
[M+K]+	249.01348	145.5
[M+H-H2O]+	193.04758	133.6
[M+HCOO]-	255.04852	158.6
[M+CH3COO]-	269.06417	153.9
[M+Na-2H]-	231.02499	148.3
[M]+	210.04977	143.3
[M]-	210.05087	143.3

Literature stripe

literature stripe

Patent stripe

patents stripe