CID 2776611

141872-90-4

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: 94
Patents: 285.92526 Da
Monoisotopic Mass: 3.9
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]+	286.93254	163.9
[M+Na]+	308.91448	165.7
[M+NH4]+	303.95908	168.5
[M+K]+	324.88842	162.6
[M-H]-	284.91798	161.9
[M+Na-2H]-	306.89993	165.1
[M]+	285.92471	162.7
[M]-	285.92581	162.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe