CID 12755881

Cncoiczzxrivot-uhfffaoysa-n

Structural Information

Molecular Formula

C₁₄H₁₀BrClO

SMILES

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

InChI

InChI=1S/C14H10BrClO/c15-14(13(16)17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H

InChIKey

CNCOICZZXRIVOT-UHFFFAOYSA-N

Compound name

2-bromo-2,2-diphenylacetyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 307.96036 Da
Monoisotopic Mass: 4.7
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]+	308.967636	159.9
[M+Na]+	330.949578	171.0
[M-H]-	306.953084	168.8
[M+NH4]+	325.994183	178.9
[M+K]+	346.923518	157.7
[M+H-H2O]+	290.957620	160.3
[M+HCOO]-	352.958561	175.3
[M+CH3COO]-	366.974211	197.6
[M+Na-2H]-	328.935026	167.7
[M]+	307.95981142	179.5
[M]-	307.96090858	179.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.