CID 53216233

1226808-75-8

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 137.7
[M+Na]+ 240.92709 151.3
[M-H]- 216.93059 145.4
[M+NH4]+ 235.97169 160.4
[M+K]+ 256.90103 143.4
[M+H-H2O]+ 200.93513 138.6
[M+HCOO]- 262.93607 157.3
[M+CH3COO]- 276.95172 154.2
[M+Na-2H]- 238.91254 146.8
[M]+ 217.93732 157.3
[M]- 217.93842 157.3
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.