CID 2736271

33070-32-5

Structural Information

Molecular Formula

C₇H₃BrF₂O₂

SMILES

C1=CC2=C(C=C1Br)OC(O2)(F)F

InChI

InChI=1S/C7H3BrF2O2/c8-4-1-2-5-6(3-4)12-7(9,10)11-5/h1-3H

InChIKey

SZRHWHHXVXSGMT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1343
Patents: 235.92845 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe