CID 90015

23145-07-5

Structural Information

Molecular Formula
C8H5BrO
SMILES
C1=CC2=C(C=CO2)C=C1Br
InChI
InChI=1S/C8H5BrO/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5H
InChIKey
AYOVPQORFBWFNO-UHFFFAOYSA-N
Compound name
5-bromo-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

999
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 131.6
[M+Na]+ 218.94160 146.0
[M-H]- 194.94510 140.4
[M+NH4]+ 213.98620 156.5
[M+K]+ 234.91554 136.7
[M+H-H2O]+ 178.94964 133.2
[M+HCOO]- 240.95058 155.5
[M+CH3COO]- 254.96623 149.3
[M+Na-2H]- 216.92705 142.8
[M]+ 195.95183 153.1
[M]- 195.95293 153.1
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