CID 137951957

2219375-66-1

Structural Information

Molecular Formula

C₁₀H₉BrF₂O

SMILES

CC1=CC=CC=C1C(=O)C(CBr)(F)F

InChI

InChI=1S/C10H9BrF2O/c1-7-4-2-3-5-8(7)9(14)10(12,13)6-11/h2-5H,6H2,1H3

InChIKey

JWXBNSUGOMYMEJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 261.98047 Da
Monoisotopic Mass: 3.4
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]+	262.987746	149.8
[M+Na]+	284.969688	161.4
[M-H]-	260.973194	153.7
[M+NH4]+	280.014293	170.3
[M+K]+	300.943628	150.0
[M+H-H2O]+	244.977730	148.7
[M+HCOO]-	306.978671	167.4
[M+CH3COO]-	320.994321	193.1
[M+Na-2H]-	282.955136	155.7
[M]+	261.97992142	166.3
[M]-	261.98101858	166.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.