CID 22144816

7-bromo-5-fluoro-1-benzofuran

Structural Information

Molecular Formula
C8H4BrFO
SMILES
C1=COC2=C(C=C(C=C21)F)Br
InChI
InChI=1S/C8H4BrFO/c9-7-4-6(10)3-5-1-2-11-8(5)7/h1-4H
InChIKey
TYBMMMOEVBNTDU-UHFFFAOYSA-N
Compound name
7-bromo-5-fluoro-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

213.94296 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.95024 137.8
[M+Na]+ 236.93218 142.7
[M+NH4]+ 231.97678 143.6
[M+K]+ 252.90612 143.2
[M-H]- 212.93568 139.1
[M+Na-2H]- 234.91763 141.3
[M]+ 213.94241 137.8
[M]- 213.94351 137.8
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