CID 155234237

Refchem:533780

Structural Information

Molecular Formula

C₁₁H₁₀BrNO₃

SMILES

CN(C)C1=C(C=C2C=C(OC2=C1)C(=O)O)Br

InChI

InChI=1S/C11H10BrNO3/c1-13(2)8-5-9-6(3-7(8)12)4-10(16-9)11(14)15/h3-5H,1-2H3,(H,14,15)

InChIKey

MJMRQWGHLOELJU-UHFFFAOYSA-N

Compound name

5-bromo-6-(dimethylamino)-1-benzofuran-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 282.9844 Da
Monoisotopic Mass: 3.0
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]+	283.991676	155.0
[M+Na]+	305.973618	167.9
[M-H]-	281.977124	163.7
[M+NH4]+	301.018223	176.1
[M+K]+	321.947558	158.8
[M+H-H2O]+	265.981660	154.8
[M+HCOO]-	327.982601	177.0
[M+CH3COO]-	341.998251	199.3
[M+Na-2H]-	303.959066	161.1
[M]+	282.98385142	178.0
[M]-	282.98494858	178.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe