CID 102630

Desyl bromide

Structural Information

Molecular Formula

C₁₄H₁₁BrO

SMILES

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

InChI

InChI=1S/C14H11BrO/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13H

InChIKey

ZFFBIQMNKOJDJE-UHFFFAOYSA-N

Compound name

2-bromo-1,2-diphenylethanone

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 2
References: 12297
Patents: 273.99933 Da
Monoisotopic Mass: 3.6
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]+	275.006606	154.7
[M+Na]+	296.988548	163.9
[M-H]-	272.992054	163.4
[M+NH4]+	292.033153	173.8
[M+K]+	312.962488	152.7
[M+H-H2O]+	256.996590	154.0
[M+HCOO]-	318.997531	174.9
[M+CH3COO]-	333.013181	194.7
[M+Na-2H]-	294.973996	161.0
[M]+	273.99878142	171.9
[M]-	273.99987858	171.9

Literature stripe

literature stripe

Patent stripe

patents stripe