CID 12747845

61236-14-4

Structural Information

Molecular Formula

C₁₄H₁₁BrO

SMILES

C1=CC=C(C=C1)C2=CC=CC=C2C(=O)CBr

InChI

InChI=1S/C14H11BrO/c15-10-14(16)13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9H,10H2

InChIKey

UOMDLCVGPUNXQV-UHFFFAOYSA-N

Compound name

2-bromo-1-(2-phenylphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 273.99933 Da
Monoisotopic Mass: 4.0
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	153.6
[M+Na]+	296.988548	164.0
[M-H]-	272.992054	162.6
[M+NH4]+	292.033153	173.2
[M+K]+	312.962488	152.4
[M+H-H2O]+	256.996590	153.1
[M+HCOO]-	318.997531	174.9
[M+CH3COO]-	333.013181	194.9
[M+Na-2H]-	294.973996	160.5
[M]+	273.99878142	171.8
[M]-	273.99987858	171.8

Literature stripe

literature stripe

Patent stripe

patents stripe