CID 84695053

6-bromo-5-chloro-1-benzofuran

Structural Information

Molecular Formula
C8H4BrClO
SMILES
C1=COC2=CC(=C(C=C21)Cl)Br
InChI
InChI=1S/C8H4BrClO/c9-6-4-8-5(1-2-11-8)3-7(6)10/h1-4H
InChIKey
NHHOOAWAGMEKLC-UHFFFAOYSA-N
Compound name
6-bromo-5-chloro-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.9134 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.920676 137.7
[M+Na]+ 252.902618 153.9
[M-H]- 228.906124 146.5
[M+NH4]+ 247.947223 162.4
[M+K]+ 268.876558 142.5
[M+H-H2O]+ 212.910660 139.9
[M+HCOO]- 274.911601 157.0
[M+CH3COO]- 288.927251 155.3
[M+Na-2H]- 250.888066 147.7
[M]+ 229.91285142 161.3
[M]- 229.91394858 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

No patent data available for this compound.