CID 11630200

13365-64-5

Structural Information

Molecular Formula

C₁₁H₇BrO₂

SMILES

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

InChI

InChI=1S/C11H7BrO2/c12-9-5-3-8(4-6-9)11(13)10-2-1-7-14-10/h1-7H

InChIKey

ROQSRSVTBGSDJE-UHFFFAOYSA-N

Compound name

(4-bromophenyl)-(furan-2-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 249.96294 Da
Monoisotopic Mass: 3.4
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]+	250.970216	147.7
[M+Na]+	272.952158	159.6
[M-H]-	248.955664	158.0
[M+NH4]+	267.996763	168.9
[M+K]+	288.926098	150.2
[M+H-H2O]+	232.960200	148.1
[M+HCOO]-	294.961141	170.1
[M+CH3COO]-	308.976791	188.2
[M+Na-2H]-	270.937606	154.5
[M]+	249.96239142	167.7
[M]-	249.96348858	167.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe