CID 2773297

4-bromo-2,2-difluoro-1,3-benzodioxole

Structural Information

Molecular Formula
C7H3BrF2O2
SMILES
C1=CC2=C(C(=C1)Br)OC(O2)(F)F
InChI
InChI=1S/C7H3BrF2O2/c8-4-2-1-3-5-6(4)12-7(9,10)11-5/h1-3H
InChIKey
LSZYHXNOLVSZHH-UHFFFAOYSA-N
Compound name
4-bromo-2,2-difluoro-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

190
Patents

235.92845 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.93573 139.4
[M+Na]+ 258.91767 154.0
[M-H]- 234.92117 146.2
[M+NH4]+ 253.96227 163.3
[M+K]+ 274.89161 145.7
[M+H-H2O]+ 218.92571 140.1
[M+HCOO]- 280.92665 158.1
[M+CH3COO]- 294.94230 155.8
[M+Na-2H]- 256.90312 149.1
[M]+ 235.92790 158.4
[M]- 235.92900 158.4
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