CID 24212581

1-(5-bromo-2-fluorobenzoyl)pyrrolidine

Structural Information

Molecular Formula

C₁₁H₁₁BrFNO

SMILES

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

InChI

InChI=1S/C11H11BrFNO/c12-8-3-4-10(13)9(7-8)11(15)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2

InChIKey

TTXXNNHVEFPIEN-UHFFFAOYSA-N

Compound name

(5-bromo-2-fluorophenyl)-pyrrolidin-1-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 271.0008 Da
Monoisotopic Mass: 2.7
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]+	272.008076	154.6
[M+Na]+	293.990018	165.5
[M-H]-	269.993524	161.3
[M+NH4]+	289.034623	175.1
[M+K]+	309.963958	154.4
[M+H-H2O]+	253.998060	153.3
[M+HCOO]-	315.999001	172.8
[M+CH3COO]-	330.014651	192.4
[M+Na-2H]-	291.975466	157.4
[M]+	271.00025142	169.7
[M]-	271.00134858	169.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.