CID 83900099

1782550-37-1

Structural Information

Molecular Formula

C₉H₈BrFO₂

SMILES

CC(=O)C1=C(C(=CC(=C1)F)Br)OC

InChI

InChI=1S/C9H8BrFO2/c1-5(12)7-3-6(11)4-8(10)9(7)13-2/h3-4H,1-2H3

InChIKey

KHJZQLBRMQWDCU-UHFFFAOYSA-N

Compound name

1-(3-bromo-5-fluoro-2-methoxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 245.96918 Da
Monoisotopic Mass: 2.4
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]+	246.97646	144.4
[M+Na]+	268.95840	147.8
[M+NH4]+	264.00300	148.6
[M+K]+	284.93234	147.9
[M-H]-	244.96190	143.6
[M+Na-2H]-	266.94385	147.0
[M]+	245.96863	143.4
[M]-	245.96973	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe