CID 134817309

4-bromo-2-iodobenzothiophene

Structural Information

Molecular Formula
C8H4BrIS
SMILES
C1=CC2=C(C=C(S2)I)C(=C1)Br
InChI
InChI=1S/C8H4BrIS/c9-6-2-1-3-7-5(6)4-8(10)11-7/h1-4H
InChIKey
KYUIIXSJHDBAFB-UHFFFAOYSA-N
Compound name
4-bromo-2-iodo-1-benzothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.82617 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.83345 138.5
[M+Na]+ 360.81539 137.6
[M+NH4]+ 355.85999 142.1
[M+K]+ 376.78933 138.7
[M-H]- 336.81889 135.4
[M+Na-2H]- 358.80084 132.6
[M]+ 337.82562 136.1
[M]- 337.82672 136.1
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.