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

99
Patents

285.92526 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.932536 148.9
[M+Na]+ 308.914478 163.7
[M-H]- 284.917984 153.3
[M+NH4]+ 303.959083 170.9
[M+K]+ 324.888418 154.9
[M+H-H2O]+ 268.922520 147.4
[M+HCOO]- 330.923461 163.0
[M+CH3COO]- 344.939111 194.1
[M+Na-2H]- 306.899926 158.5
[M]+ 285.92471142 164.7
[M]- 285.92580858 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