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]+ 230.92068 137.7
[M+Na]+ 252.90262 153.9
[M-H]- 228.90612 146.5
[M+NH4]+ 247.94722 162.4
[M+K]+ 268.87656 142.5
[M+H-H2O]+ 212.91066 139.9
[M+HCOO]- 274.91160 157.0
[M+CH3COO]- 288.92725 155.3
[M+Na-2H]- 250.88807 147.7
[M]+ 229.91285 161.3
[M]- 229.91395 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.