CID 2737032

40706-98-7

Structural Information

Molecular Formula

C₈H₅BrF₂O

SMILES

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

InChI

InChI=1S/C8H5BrF2O/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3H,4H2

InChIKey

BYIVWTZVICGYFS-UHFFFAOYSA-N

Compound name

2-bromo-1-(3,4-difluorophenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 361
Patents: 233.94917 Da
Monoisotopic Mass: 2.8
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]+	234.95645	138.9
[M+Na]+	256.93839	151.7
[M-H]-	232.94189	143.2
[M+NH4]+	251.98299	160.6
[M+K]+	272.91233	140.5
[M+H-H2O]+	216.94643	137.9
[M+HCOO]-	278.94737	158.6
[M+CH3COO]-	292.96302	188.2
[M+Na-2H]-	254.92384	144.7
[M]+	233.94862	155.6
[M]-	233.94972	155.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe