CID 729914

157642-10-9

Structural Information

Molecular Formula

C₉H₁₀BrNO₂

SMILES

C1CCN(C1)C(=O)C2=CC=C(O2)Br

InChI

InChI=1S/C9H10BrNO2/c10-8-4-3-7(13-8)9(12)11-5-1-2-6-11/h3-4H,1-2,5-6H2

InChIKey

CHXUGJXTWLFHHF-UHFFFAOYSA-N

Compound name

(5-bromofuran-2-yl)-pyrrolidin-1-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 22
Patents: 242.98949 Da
Monoisotopic Mass: 2.3
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]+	243.996766	149.7
[M+Na]+	265.978708	160.5
[M-H]-	241.982214	158.3
[M+NH4]+	261.023313	171.4
[M+K]+	281.952648	152.1
[M+H-H2O]+	225.986750	149.8
[M+HCOO]-	287.987691	169.5
[M+CH3COO]-	302.003341	185.5
[M+Na-2H]-	263.964156	153.1
[M]+	242.98894142	167.3
[M]-	242.99003858	167.3

Literature stripe

literature stripe

Patent stripe

patents stripe