CID 84029119

2-bromo-1-benzothiophen-4-ol

Structural Information

Molecular Formula
C8H5BrOS
SMILES
C1=CC(=C2C=C(SC2=C1)Br)O
InChI
InChI=1S/C8H5BrOS/c9-8-4-5-6(10)2-1-3-7(5)11-8/h1-4,10H
InChIKey
ULLABIBCRDEFFP-UHFFFAOYSA-N
Compound name
2-bromo-1-benzothiophen-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.92445 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.93173 129.2
[M+Na]+ 250.91367 133.7
[M+NH4]+ 245.95827 136.0
[M+K]+ 266.88761 133.2
[M-H]- 226.91717 130.6
[M+Na-2H]- 248.89912 133.4
[M]+ 227.92390 129.6
[M]- 227.92500 129.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.