CID 5097300

Methyl 2-bromo-2,2-diphenylacetate

Structural Information

Molecular Formula

C₁₅H₁₃BrO₂

SMILES

COC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)Br

InChI

InChI=1S/C15H13BrO2/c1-18-14(17)15(16,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3

InChIKey

GMOPDUWWJUWBKC-UHFFFAOYSA-N

Compound name

methyl 2-bromo-2,2-diphenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 304.0099 Da
Monoisotopic Mass: 4.1
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]+	305.017176	162.6
[M+Na]+	326.999118	172.0
[M-H]-	303.002624	171.4
[M+NH4]+	322.043723	180.8
[M+K]+	342.973058	161.1
[M+H-H2O]+	287.007160	161.9
[M+HCOO]-	349.008101	182.2
[M+CH3COO]-	363.023751	198.2
[M+Na-2H]-	324.984566	170.2
[M]+	304.00935142	181.6
[M]-	304.01044858	181.6

Literature stripe

literature stripe

Patent stripe

patents stripe