CID 15643889

2-bromo-5-methoxythiophene

Structural Information

Molecular Formula

SMILES

COC1=CC=C(S1)Br

InChI

InChI=1S/C5H5BrOS/c1-7-5-3-2-4(6)8-5/h2-3H,1H3

InChIKey

KQPQXZDIPWYWJO-UHFFFAOYSA-N

Compound name

2-bromo-5-methoxythiophene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 191.92445 Da
Monoisotopic Mass: 2.9
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]+	192.93173	124.1
[M+Na]+	214.91367	126.9
[M+NH4]+	209.95827	130.4
[M+K]+	230.88761	127.0
[M-H]-	190.91717	124.9
[M+Na-2H]-	212.89912	127.4
[M]+	191.92390	123.9
[M]-	191.92500	123.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe