CID 4657253

Cbdive_008217

Structural Information

Molecular Formula

C₁₅H₁₃Cl₂NO₂

SMILES

C1=CC2=C(C=C1Cl)C3=C(N2CC(CO)O)C=CC(=C3)Cl

InChI

InChI=1S/C15H13Cl2NO2/c16-9-1-3-14-12(5-9)13-6-10(17)2-4-15(13)18(14)7-11(20)8-19/h1-6,11,19-20H,7-8H2

InChIKey

HUEAREQFYNUIEN-UHFFFAOYSA-N

Compound name

3-(3,6-dichlorocarbazol-9-yl)propane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 309.03235 Da
Monoisotopic Mass: 3.2
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]+	310.039626	165.5
[M+Na]+	332.021568	177.5
[M-H]-	308.025074	167.3
[M+NH4]+	327.066173	183.6
[M+K]+	347.995508	169.7
[M+H-H2O]+	292.029610	160.7
[M+HCOO]-	354.030551	175.3
[M+CH3COO]-	368.046201	177.1
[M+Na-2H]-	330.007016	168.9
[M]+	309.03180142	171.3
[M]-	309.03289858	171.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe