CID 819087

3,3'-dibromo-2,2'-bithiophene

Structural Information

Molecular Formula

C₈H₄Br₂S₂

SMILES

C1=CSC(=C1Br)C2=C(C=CS2)Br

InChI

InChI=1S/C8H4Br2S2/c9-5-1-3-11-7(5)8-6(10)2-4-12-8/h1-4H

InChIKey

KBRZCEVRNLKHAZ-UHFFFAOYSA-N

Compound name

3-bromo-2-(3-bromothiophen-2-yl)thiophene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 341
Patents: 321.81213 Da
Monoisotopic Mass: 4.4
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]+	322.81941	127.6
[M+Na]+	344.80135	144.4
[M-H]-	320.80485	139.1
[M+NH4]+	339.84595	151.0
[M+K]+	360.77529	128.6
[M+H-H2O]+	304.80939	138.1
[M+HCOO]-	366.81033	141.1
[M+CH3COO]-	380.82598	145.0
[M+Na-2H]-	342.78680	132.4
[M]+	321.81158	165.0
[M]-	321.81268	165.0

Literature stripe

literature stripe

Patent stripe

patents stripe