CID 152574425

7-bromo-2-iodo-1-benzofuran

Structural Information

Molecular Formula
C8H4BrIO
SMILES
C1=CC2=C(C(=C1)Br)OC(=C2)I
InChI
InChI=1S/C8H4BrIO/c9-6-3-1-2-5-4-7(10)11-8(5)6/h1-4H
InChIKey
YSECVYRLWPAPGB-UHFFFAOYSA-N
Compound name
7-bromo-2-iodo-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

321.84903 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.85631 143.2
[M+Na]+ 344.83825 151.1
[M-H]- 320.84175 145.1
[M+NH4]+ 339.88285 162.5
[M+K]+ 360.81219 147.3
[M+H-H2O]+ 304.84629 140.9
[M+HCOO]- 366.84723 161.8
[M+CH3COO]- 380.86288 156.2
[M+Na-2H]- 342.82370 141.8
[M]+ 321.84848 161.3
[M]- 321.84958 161.3
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