CID 271762

22362-66-9

Structural Information

Molecular Formula

C₈H₆Br₂O₂

SMILES

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

InChI

InChI=1S/C8H6Br2O2/c1-4(11)6-2-5(9)3-7(10)8(6)12/h2-3,12H,1H3

InChIKey

RCKHUOIKVIOMGZ-UHFFFAOYSA-N

Compound name

1-(3,5-dibromo-2-hydroxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 126
Patents: 291.87344 Da
Monoisotopic Mass: 3.2
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]+	292.880716	137.9
[M+Na]+	314.862658	149.4
[M-H]-	290.866164	144.1
[M+NH4]+	309.907263	156.9
[M+K]+	330.836598	133.9
[M+H-H2O]+	274.870700	146.0
[M+HCOO]-	336.871641	153.1
[M+CH3COO]-	350.887291	201.3
[M+Na-2H]-	312.848106	143.7
[M]+	291.87289142	171.8
[M]-	291.87398858	171.8

Literature stripe

literature stripe

Patent stripe

patents stripe