CID 2735127

1199-03-7

Structural Information

Molecular Formula

C₈H₆N₂S₂

SMILES

C1=CC=C2C(=C1)NC(=S)C(=S)N2

InChI

InChI=1S/C8H6N2S2/c11-7-8(12)10-6-4-2-1-3-5(6)9-7/h1-4H,(H,9,11)(H,10,12)

InChIKey

YFBUDXNMBTUSOC-UHFFFAOYSA-N

Compound name

1,4-dihydroquinoxaline-2,3-dithione

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 4
References: 623
Patents: 193.99724 Da
Monoisotopic Mass: 2.1
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]+	195.00452	132.0
[M+Na]+	216.98646	143.6
[M-H]-	192.98996	131.7
[M+NH4]+	212.03106	149.8
[M+K]+	232.96040	135.5
[M+H-H2O]+	176.99450	127.0
[M+HCOO]-	238.99544	141.0
[M+CH3COO]-	253.01109	144.2
[M+Na-2H]-	214.97191	136.4
[M]+	193.99669	130.4
[M]-	193.99779	130.4

Literature stripe

literature stripe

Patent stripe

patents stripe