CID 65696

Resorantel

Structural Information

Molecular Formula

C₁₃H₁₀BrNO₃

SMILES

C1=CC(=C(C(=C1)O)C(=O)NC2=CC=C(C=C2)Br)O

InChI

InChI=1S/C13H10BrNO3/c14-8-4-6-9(7-5-8)15-13(18)12-10(16)2-1-3-11(12)17/h1-7,16-17H,(H,15,18)

InChIKey

IHYNKGRWCDKNEG-UHFFFAOYSA-N

Compound name

N-(4-bromophenyl)-2,6-dihydroxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 3619
Patents: 306.9844 Da
Monoisotopic Mass: 3.3
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]+	307.99168	159.0
[M+Na]+	329.97362	169.1
[M-H]-	305.97712	165.9
[M+NH4]+	325.01822	175.8
[M+K]+	345.94756	156.8
[M+H-H2O]+	289.98166	157.6
[M+HCOO]-	351.98260	178.7
[M+CH3COO]-	365.99825	197.6
[M+Na-2H]-	327.95907	164.3
[M]+	306.98385	175.8
[M]-	306.98495	175.8

Literature stripe

literature stripe

Patent stripe

patents stripe