CID 165999365

3,5-dibromo-2-(chloromethyl)thiophene

Structural Information

Molecular Formula

C₅H₃Br₂ClS

SMILES

C1=C(SC(=C1Br)CCl)Br

InChI

InChI=1S/C5H3Br2ClS/c6-3-1-5(7)9-4(3)2-8/h1H,2H2

InChIKey

BMUYLUIRFXOJQO-UHFFFAOYSA-N

Compound name

3,5-dibromo-2-(chloromethyl)thiophene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 287.80106 Da
Monoisotopic Mass: 3.7
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]+	288.80834	128.0
[M+Na]+	310.79028	143.4
[M-H]-	286.79378	136.3
[M+NH4]+	305.83488	151.1
[M+K]+	326.76422	126.1
[M+H-H2O]+	270.79832	138.1
[M+HCOO]-	332.79926	139.0
[M+CH3COO]-	346.81491	198.6
[M+Na-2H]-	308.77573	133.7
[M]+	287.80051	164.9
[M]-	287.80161	164.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.