CID 5918180

Nsc700203

Structural Information

Molecular Formula

C₁₅H₁₁BrO

SMILES

C1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=C2Br

InChI

InChI=1S/C15H11BrO/c16-14-9-5-4-6-12(14)10-11-15(17)13-7-2-1-3-8-13/h1-11H/b11-10+

InChIKey

OLPPSDMJGDTGJV-ZHACJKMWSA-N

Compound name

(E)-3-(2-bromophenyl)-1-phenylprop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 52
Patents: 285.99933 Da
Monoisotopic Mass: 4.4
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]+	287.00661	156.9
[M+Na]+	308.98855	167.3
[M-H]-	284.99205	165.9
[M+NH4]+	304.03315	176.1
[M+K]+	324.96249	154.9
[M+H-H2O]+	268.99659	156.3
[M+HCOO]-	330.99753	178.1
[M+CH3COO]-	345.01318	196.3
[M+Na-2H]-	306.97400	163.4
[M]+	285.99878	174.8
[M]-	285.99988	174.8

Literature stripe

literature stripe

Patent stripe

patents stripe