CID 640589

3-bromo-1-benzofuran

Structural Information

Molecular Formula
C8H5BrO
SMILES
C1=CC=C2C(=C1)C(=CO2)Br
InChI
InChI=1S/C8H5BrO/c9-7-5-10-8-4-2-1-3-6(7)8/h1-5H
InChIKey
ICJNAOJPUTYWNV-UHFFFAOYSA-N
Compound name
3-bromo-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

509
Patents

195.95238 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.95966 131.1
[M+Na]+ 218.94160 136.6
[M+NH4]+ 213.98620 137.8
[M+K]+ 234.91554 137.2
[M-H]- 194.94510 133.9
[M+Na-2H]- 216.92705 135.9
[M]+ 195.95183 131.7
[M]- 195.95293 131.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe