CID 10730282

85259-19-4

Structural Information

Molecular Formula

C₉H₈BrClO₂

SMILES

COC(=O)C(C1=CC=CC=C1Cl)Br

InChI

InChI=1S/C9H8BrClO2/c1-13-9(12)8(10)6-4-2-3-5-7(6)11/h2-5,8H,1H3

InChIKey

HMBUCZUZRQQJQD-UHFFFAOYSA-N

Compound name

methyl 2-bromo-2-(2-chlorophenyl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 236
Patents: 261.9396 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]+	262.94688	143.0
[M+Na]+	284.92882	147.1
[M+NH4]+	279.97342	148.0
[M+K]+	300.90276	147.0
[M-H]-	260.93232	143.3
[M+Na-2H]-	282.91427	146.7
[M]+	261.93905	142.7
[M]-	261.94015	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe