CID 68601177

1222556-34-4

Structural Information

Molecular Formula
C8H6BrFO2
SMILES
C1COC2=C(O1)C=C(C=C2F)Br
InChI
InChI=1S/C8H6BrFO2/c9-5-3-6(10)8-7(4-5)11-1-2-12-8/h3-4H,1-2H2
InChIKey
RVFFKSCEEAHWKX-UHFFFAOYSA-N
Compound name
7-bromo-5-fluoro-2,3-dihydro-1,4-benzodioxine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

231.95352 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.96080 140.6
[M+Na]+ 254.94274 152.6
[M-H]- 230.94624 147.8
[M+NH4]+ 249.98734 160.9
[M+K]+ 270.91668 144.6
[M+H-H2O]+ 214.95078 140.4
[M+HCOO]- 276.95172 157.7
[M+CH3COO]- 290.96737 156.0
[M+Na-2H]- 252.92819 150.7
[M]+ 231.95297 158.5
[M]- 231.95407 158.5
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