CID 83917116

5-bromo-6-fluoro-1-benzofuran

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

213.94296 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.950236 135.1
[M+Na]+ 236.932178 150.4
[M-H]- 212.935684 142.9
[M+NH4]+ 231.976783 159.5
[M+K]+ 252.906118 140.6
[M+H-H2O]+ 196.940220 135.9
[M+HCOO]- 258.941161 157.9
[M+CH3COO]- 272.956811 152.5
[M+Na-2H]- 234.917626 144.9
[M]+ 213.94241142 155.9
[M]- 213.94350858 155.9
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