CID 19385733

Methyl 2-bromo-2-(2-bromophenyl)acetate

Structural Information

Molecular Formula

C₉H₈Br₂O₂

SMILES

COC(=O)C(C1=CC=CC=C1Br)Br

InChI

InChI=1S/C9H8Br2O2/c1-13-9(12)8(11)6-4-2-3-5-7(6)10/h2-5,8H,1H3

InChIKey

VZMMSUIICCIPQY-UHFFFAOYSA-N

Compound name

methyl 2-bromo-2-(2-bromophenyl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 305.8891 Da
Monoisotopic Mass: 3.3
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]+	306.89638	146.1
[M+Na]+	328.87832	141.0
[M+NH4]+	323.92292	147.9
[M+K]+	344.85226	147.9
[M-H]-	304.88182	146.5
[M+Na-2H]-	326.86377	147.7
[M]+	305.88855	144.3
[M]-	305.88965	144.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe