CID 84692392

4-bromo-1-benzothiophen-5-ol

Structural Information

Molecular Formula
C8H5BrOS
SMILES
C1=CC2=C(C=CS2)C(=C1O)Br
InChI
InChI=1S/C8H5BrOS/c9-8-5-3-4-11-7(5)2-1-6(8)10/h1-4,10H
InChIKey
OEKMJYUGODWBFH-UHFFFAOYSA-N
Compound name
4-bromo-1-benzothiophen-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

227.92445 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.931726 131.7
[M+Na]+ 250.913668 147.3
[M-H]- 226.917174 139.3
[M+NH4]+ 245.958273 157.1
[M+K]+ 266.887608 135.3
[M+H-H2O]+ 210.921710 133.9
[M+HCOO]- 272.922651 150.4
[M+CH3COO]- 286.938301 148.9
[M+Na-2H]- 248.899116 138.9
[M]+ 227.92390142 153.7
[M]- 227.92499858 153.7
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

patents stripe