CID 88015569

6-(bromomethyl)-2,2,3,3-tetrafluoro-1,4-benzodioxane

Structural Information

Molecular Formula
C9H5BrF4O2
SMILES
C1=CC2=C(C=C1CBr)OC(C(O2)(F)F)(F)F
InChI
InChI=1S/C9H5BrF4O2/c10-4-5-1-2-6-7(3-5)16-9(13,14)8(11,12)15-6/h1-3H,4H2
InChIKey
WANHPMCZAXHPTH-UHFFFAOYSA-N
Compound name
6-(bromomethyl)-2,2,3,3-tetrafluoro-1,4-benzodioxine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

299.9409 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.94818 153.6
[M+Na]+ 322.93012 168.0
[M-H]- 298.93362 157.9
[M+NH4]+ 317.97472 175.1
[M+K]+ 338.90406 159.0
[M+H-H2O]+ 282.93816 151.9
[M+HCOO]- 344.93910 167.4
[M+CH3COO]- 358.95475 196.9
[M+Na-2H]- 320.91557 162.6
[M]+ 299.94035 169.7
[M]- 299.94145 169.7
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