CID 105518175

7-bromo-5-methoxy-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula

C₁₀H₈BrNO₃

SMILES

COC1=CC(=C2C(=C1)C=C(N2)C(=O)O)Br

InChI

InChI=1S/C10H8BrNO3/c1-15-6-2-5-3-8(10(13)14)12-9(5)7(11)4-6/h2-4,12H,1H3,(H,13,14)

InChIKey

CVQUBKBUXIGJKY-UHFFFAOYSA-N

Compound name

7-bromo-5-methoxy-1H-indole-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 268.96875 Da
Monoisotopic Mass: 2.6
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]+	269.976026	149.1
[M+Na]+	291.957968	162.7
[M-H]-	267.961474	153.6
[M+NH4]+	287.002573	169.8
[M+K]+	307.931908	151.0
[M+H-H2O]+	251.966010	149.5
[M+HCOO]-	313.966951	168.5
[M+CH3COO]-	327.982601	188.8
[M+Na-2H]-	289.943416	155.0
[M]+	268.96820142	169.7
[M]-	268.96929858	169.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.