CID 83917117

3-bromo-5-fluoro-1-benzofuran

Structural Information

Molecular Formula
C8H4BrFO
SMILES
C1=CC2=C(C=C1F)C(=CO2)Br
InChI
InChI=1S/C8H4BrFO/c9-7-4-11-8-2-1-5(10)3-6(7)8/h1-4H
InChIKey
IFVFKSWGVOIEIM-UHFFFAOYSA-N
Compound name
3-bromo-5-fluoro-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
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 135.1
[M+Na]+ 236.93218 150.4
[M-H]- 212.93568 142.9
[M+NH4]+ 231.97678 159.5
[M+K]+ 252.90612 140.6
[M+H-H2O]+ 196.94022 135.9
[M+HCOO]- 258.94116 157.9
[M+CH3COO]- 272.95681 152.5
[M+Na-2H]- 234.91763 144.9
[M]+ 213.94241 155.9
[M]- 213.94351 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