CID 2776611

6-bromo-2,2,3,3-tetrafluoro-1,4-benzodioxane

Structural Information

Molecular Formula
C8H3BrF4O2
SMILES
C1=CC2=C(C=C1Br)OC(C(O2)(F)F)(F)F
InChI
InChI=1S/C8H3BrF4O2/c9-4-1-2-5-6(3-4)15-8(12,13)7(10,11)14-5/h1-3H
InChIKey
NFBZNZNRSMRQDC-UHFFFAOYSA-N
Compound name
6-bromo-2,2,3,3-tetrafluoro-1,4-benzodioxine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

285.92526 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.93254 148.9
[M+Na]+ 308.91448 163.7
[M-H]- 284.91798 153.3
[M+NH4]+ 303.95908 170.9
[M+K]+ 324.88842 154.9
[M+H-H2O]+ 268.92252 147.4
[M+HCOO]- 330.92346 163.0
[M+CH3COO]- 344.93911 194.1
[M+Na-2H]- 306.89993 158.5
[M]+ 285.92471 164.7
[M]- 285.92581 164.7
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

patents stripe