CID 38706

Brosotamide

Structural Information

Molecular Formula

C₈H₈BrNO₂

SMILES

CC1=CC(=CC(=C1O)C(=O)N)Br

InChI

InChI=1S/C8H8BrNO2/c1-4-2-5(9)3-6(7(4)11)8(10)12/h2-3,11H,1H3,(H2,10,12)

InChIKey

KEYYFWXKFRRLOZ-UHFFFAOYSA-N

Compound name

5-bromo-2-hydroxy-3-methylbenzamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 22
Patents: 228.97385 Da
Monoisotopic Mass: 2.8
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]+	229.981126	139.5
[M+Na]+	251.963068	151.4
[M-H]-	227.966574	144.7
[M+NH4]+	247.007673	160.3
[M+K]+	267.937008	139.9
[M+H-H2O]+	211.971110	139.3
[M+HCOO]-	273.972051	160.1
[M+CH3COO]-	287.987701	187.7
[M+Na-2H]-	249.948516	144.4
[M]+	228.97330142	156.4
[M]-	228.97439858	156.4

Literature stripe

literature stripe

Patent stripe

patents stripe