CID 789915

3-(3,6-dichloro-9h-carbazol-9-yl)propanoic acid

Structural Information

Molecular Formula

C₁₅H₁₁Cl₂NO₂

SMILES

C1=CC2=C(C=C1Cl)C3=C(N2CCC(=O)O)C=CC(=C3)Cl

InChI

InChI=1S/C15H11Cl2NO2/c16-9-1-3-13-11(7-9)12-8-10(17)2-4-14(12)18(13)6-5-15(19)20/h1-4,7-8H,5-6H2,(H,19,20)

InChIKey

KDYNAXRKXFKHLN-UHFFFAOYSA-N

Compound name

3-(3,6-dichlorocarbazol-9-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 11
Patents: 307.0167 Da
Monoisotopic Mass: 4.0
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]+	308.023976	165.1
[M+Na]+	330.005918	177.8
[M-H]-	306.009424	168.2
[M+NH4]+	325.050523	183.8
[M+K]+	345.979858	170.2
[M+H-H2O]+	290.013960	160.0
[M+HCOO]-	352.014901	176.5
[M+CH3COO]-	366.030551	177.3
[M+Na-2H]-	327.991366	168.8
[M]+	307.01615142	171.9
[M]-	307.01724858	171.9

Literature stripe

literature stripe

Patent stripe

patents stripe