CID 703496

141134-24-9

Structural Information

Molecular Formula

C₉H₇BrF₂O₂

SMILES

C1=CC(=CC=C1C(=O)CBr)OC(F)F

InChI

InChI=1S/C9H7BrF2O2/c10-5-8(13)6-1-3-7(4-2-6)14-9(11)12/h1-4,9H,5H2

InChIKey

JMUKUVDYZQDUSP-UHFFFAOYSA-N

Compound name

2-bromo-1-[4-(difluoromethoxy)phenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 228
Patents: 263.95975 Da
Monoisotopic Mass: 3.3
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]+	264.96703	151.0
[M+Na]+	286.94897	152.6
[M+NH4]+	281.99357	154.2
[M+K]+	302.92291	152.9
[M-H]-	262.95247	148.5
[M+Na-2H]-	284.93442	152.6
[M]+	263.95920	149.1
[M]-	263.96030	149.1

Literature stripe

literature stripe

Patent stripe

patents stripe