CID 83665088

1379352-54-1

Structural Information

Molecular Formula

C₁₀H₆BrClS

SMILES

C1=CC(=CC(=C1)Br)C2=CC=C(S2)Cl

InChI

InChI=1S/C10H6BrClS/c11-8-3-1-2-7(6-8)9-4-5-10(12)13-9/h1-6H

InChIKey

CIXJAEZRHZAZJN-UHFFFAOYSA-N

Compound name

2-(3-bromophenyl)-5-chlorothiophene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 271.90622 Da
Monoisotopic Mass: 4.9
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]+	272.91350	142.7
[M+Na]+	294.89544	158.1
[M-H]-	270.89894	153.3
[M+NH4]+	289.94004	166.7
[M+K]+	310.86938	144.5
[M+H-H2O]+	254.90348	144.6
[M+HCOO]-	316.90442	157.8
[M+CH3COO]-	330.92007	159.4
[M+Na-2H]-	292.88089	147.2
[M]+	271.90567	164.9
[M]-	271.90677	164.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.