CID 53721

77694-34-9

Structural Information

Molecular Formula

C₁₁H₁₀BrNO₃

SMILES

C1COC(=O)C1NC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C11H10BrNO3/c12-8-3-1-7(2-4-8)10(14)13-9-5-6-16-11(9)15/h1-4,9H,5-6H2,(H,13,14)

InChIKey

FKBDDIATWGVLAF-UHFFFAOYSA-N

Compound name

4-bromo-N-(2-oxooxolan-3-yl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 282.9844 Da
Monoisotopic Mass: 2.0
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]+	283.99168	156.4
[M+Na]+	305.97362	166.2
[M-H]-	281.97712	166.0
[M+NH4]+	301.01822	175.7
[M+K]+	321.94756	156.6
[M+H-H2O]+	265.98166	155.6
[M+HCOO]-	327.98260	177.1
[M+CH3COO]-	341.99825	195.1
[M+Na-2H]-	303.95907	160.9
[M]+	282.98385	173.7
[M]-	282.98495	173.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe