CID 84795785

Refchem:533600

Structural Information

Molecular Formula
C8H3BrF2O
SMILES
C1=COC2=CC(=C(C(=C21)F)Br)F
InChI
InChI=1S/C8H3BrF2O/c9-7-5(10)3-6-4(8(7)11)1-2-12-6/h1-3H
InChIKey
JPZHCDBOZSWISV-UHFFFAOYSA-N
Compound name
5-bromo-4,6-difluoro-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.93353 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.94081 138.7
[M+Na]+ 254.92275 154.8
[M-H]- 230.92625 145.5
[M+NH4]+ 249.96735 162.6
[M+K]+ 270.89669 144.5
[M+H-H2O]+ 214.93079 138.6
[M+HCOO]- 276.93173 160.4
[M+CH3COO]- 290.94738 155.7
[M+Na-2H]- 252.90820 147.1
[M]+ 231.93298 158.7
[M]- 231.93408 158.7
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

No patent data available for this compound.