CID 145789883

8-bromo-3,3,4,4-tetrafluoro-2,3,4,5-tetrahydro-1,6-benzodioxocine

Structural Information

Molecular Formula
C10H7BrF4O2
SMILES
C1C(C(COC2=C(O1)C=CC(=C2)Br)(F)F)(F)F
InChI
InChI=1S/C10H7BrF4O2/c11-6-1-2-7-8(3-6)17-5-10(14,15)9(12,13)4-16-7/h1-3H,4-5H2
InChIKey
WKAYWHZFEAVGAA-UHFFFAOYSA-N
Compound name
8-bromo-3,3,4,4-tetrafluoro-2,5-dihydro-1,6-benzodioxocine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.95654 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.96382 175.5
[M+Na]+ 336.94576 175.9
[M+NH4]+ 331.99036 176.7
[M+K]+ 352.91970 174.7
[M-H]- 312.94926 174.8
[M+Na-2H]- 334.93121 175.4
[M]+ 313.95599 175.1
[M]- 313.95709 175.1
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.