CID 73996035

Anthracene-9-thiocarboxamide

Structural Information

Molecular Formula

C₁₅H₁₁NS

SMILES

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C(=S)N

InChI

InChI=1S/C15H11NS/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H,(H2,16,17)

InChIKey

DPNDYWVMUNOBFU-UHFFFAOYSA-N

Compound name

anthracene-9-carbothioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 90
Patents: 237.06122 Da
Monoisotopic Mass: 3.8
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]+	238.06850	147.7
[M+Na]+	260.05044	157.8
[M-H]-	236.05394	153.2
[M+NH4]+	255.09504	167.9
[M+K]+	276.02438	151.5
[M+H-H2O]+	220.05848	141.6
[M+HCOO]-	282.05942	165.9
[M+CH3COO]-	296.07507	160.8
[M+Na-2H]-	258.03589	154.6
[M]+	237.06067	149.0
[M]-	237.06177	149.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe