CID 3597455

2,5-dibromothieno[3,2-b]thiophene

Structural Information

Molecular Formula

C₆H₂Br₂S₂

SMILES

C1=C(SC2=C1SC(=C2)Br)Br

InChI

InChI=1S/C6H2Br2S2/c7-5-1-3-4(10-5)2-6(8)9-3/h1-2H

InChIKey

APDAUBNBDJUQGW-UHFFFAOYSA-N

Compound name

2,5-dibromothieno[3,2-b]thiophene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 201
Patents: 295.79648 Da
Monoisotopic Mass: 4.8
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]+	296.80376	126.2
[M+Na]+	318.78570	121.7
[M+NH4]+	313.83030	130.0
[M+K]+	334.75964	128.2
[M-H]-	294.78920	127.6
[M+Na-2H]-	316.77115	128.3
[M]+	295.79593	125.4
[M]-	295.79703	125.4

Literature stripe

literature stripe

Patent stripe

patents stripe