CID 53216233

5-bromo-4-fluorobenzo[d][1,3]dioxole

Structural Information

Molecular Formula
C7H4BrFO2
SMILES
C1OC2=C(O1)C(=C(C=C2)Br)F
InChI
InChI=1S/C7H4BrFO2/c8-4-1-2-5-7(6(4)9)11-3-10-5/h1-2H,3H2
InChIKey
FMEWVPPYMHXEGT-UHFFFAOYSA-N
Compound name
5-bromo-4-fluoro-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.93787 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.94515 140.4
[M+Na]+ 240.92709 143.8
[M+NH4]+ 235.97169 145.7
[M+K]+ 256.90103 145.5
[M-H]- 216.93059 142.1
[M+Na-2H]- 238.91254 141.6
[M]+ 217.93732 140.2
[M]- 217.93842 140.2
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.