CID 25209424

1067238-69-0

Structural Information

Molecular Formula

C₉H₄BrF₃O

SMILES

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

InChI

InChI=1S/C9H4BrF3O/c10-6-1-2-7-5(3-6)4-8(14-7)9(11,12)13/h1-4H

InChIKey

WPDFSGZBCAETJT-UHFFFAOYSA-N

Compound name

5-bromo-2-(trifluoromethyl)-1-benzofuran

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 263.93976 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]+	264.94704	157.8
[M+Na]+	286.92898	160.4
[M+NH4]+	281.97358	161.4
[M+K]+	302.90292	161.0
[M-H]-	262.93248	155.7
[M+Na-2H]-	284.91443	158.8
[M]+	263.93921	156.5
[M]-	263.94031	156.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe