CID 201051

3147-32-8

Structural Information

Molecular Formula

C₉H₁₀BrNO₂

SMILES

C1=CC=C(C(=C1)C(=O)N)OCCBr

InChI

InChI=1S/C9H10BrNO2/c10-5-6-13-8-4-2-1-3-7(8)9(11)12/h1-4H,5-6H2,(H2,11,12)

InChIKey

ZKCNSDNDFKYRTA-UHFFFAOYSA-N

Compound name

2-(2-bromoethoxy)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 242.98949 Da
Monoisotopic Mass: 1.6
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	144.3
[M+Na]+	265.978708	154.6
[M-H]-	241.982214	149.9
[M+NH4]+	261.023313	164.7
[M+K]+	281.952648	143.7
[M+H-H2O]+	225.986750	143.5
[M+HCOO]-	287.987691	166.1
[M+CH3COO]-	302.003341	190.6
[M+Na-2H]-	263.964156	150.5
[M]+	242.98894142	162.7
[M]-	242.99003858	162.7

Literature stripe

literature stripe

Patent stripe

patents stripe