CID 8447

120-78-5

Structural Information

Molecular Formula

C₁₄H₈N₂S₄

SMILES

C1=CC=C2C(=C1)N=C(S2)SSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C14H8N2S4/c1-3-7-11-9(5-1)15-13(17-11)19-20-14-16-10-6-2-4-8-12(10)18-14/h1-8H

InChIKey

AFZSMODLJJCVPP-UHFFFAOYSA-N

Compound name

2-(1,3-benzothiazol-2-yldisulfanyl)-1,3-benzothiazole

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 64
References: 40362
Patents: 331.95703 Da
Monoisotopic Mass: 5.6
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]+	332.96431	158.0
[M+Na]+	354.94625	172.8
[M+NH4]+	349.99085	169.2
[M+K]+	370.92019	160.6
[M-H]-	330.94975	163.9
[M+Na-2H]-	352.93170	165.0
[M]+	331.95648	163.9
[M]-	331.95758	163.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe