CID 45013

Brn 3276624

Structural Information

Molecular Formula

C₉H₁₀BrNO₃

SMILES

C1=CC(=C(C=C1Br)C(=O)N)OCCO

InChI

InChI=1S/C9H10BrNO3/c10-6-1-2-8(14-4-3-12)7(5-6)9(11)13/h1-2,5,12H,3-4H2,(H2,11,13)

InChIKey

DKPDJFHVGNUHSL-UHFFFAOYSA-N

Compound name

5-bromo-2-(2-hydroxyethoxy)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 258.9844 Da
Monoisotopic Mass: 0.8
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]+	259.991676	147.0
[M+Na]+	281.973618	157.5
[M-H]-	257.977124	151.6
[M+NH4]+	277.018223	166.2
[M+K]+	297.947558	146.2
[M+H-H2O]+	241.981660	146.1
[M+HCOO]-	303.982601	167.5
[M+CH3COO]-	317.998251	191.4
[M+Na-2H]-	279.959066	152.1
[M]+	258.98385142	165.2
[M]-	258.98494858	165.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe