CID 137963858

3-bromo-2,2-difluoro-1-(3-methoxyphenyl)propan-1-one

Structural Information

Molecular Formula

C₁₀H₉BrF₂O₂

SMILES

COC1=CC=CC(=C1)C(=O)C(CBr)(F)F

InChI

InChI=1S/C10H9BrF2O2/c1-15-8-4-2-3-7(5-8)9(14)10(12,13)6-11/h2-5H,6H2,1H3

InChIKey

AWJSXMJKALAUIN-UHFFFAOYSA-N

Compound name

3-bromo-2,2-difluoro-1-(3-methoxyphenyl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 277.9754 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]+	278.982676	152.7
[M+Na]+	300.964618	164.2
[M-H]-	276.968124	156.6
[M+NH4]+	296.009223	172.5
[M+K]+	316.938558	153.3
[M+H-H2O]+	260.972660	151.4
[M+HCOO]-	322.973601	170.5
[M+CH3COO]-	336.989251	194.9
[M+Na-2H]-	298.950066	158.6
[M]+	277.97485142	170.6
[M]-	277.97594858	170.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.