CID 212099

23915-26-6

Structural Information

Molecular Formula

C₁₆H₁₂Cl₂N₂O

SMILES

C1CN2C(=N1)C3=CC=CC=C3C2(C4=CC(=C(C=C4)Cl)Cl)O

InChI

InChI=1S/C16H12Cl2N2O/c17-13-6-5-10(9-14(13)18)16(21)12-4-2-1-3-11(12)15-19-7-8-20(15)16/h1-6,9,21H,7-8H2

InChIKey

HIXQQSRYYLKPER-UHFFFAOYSA-N

Compound name

5-(3,4-dichlorophenyl)-2,3-dihydroimidazo[1,2-b]isoindol-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 16
Patents: 318.03265 Da
Monoisotopic Mass: 2.8
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]+	319.039926	171.8
[M+Na]+	341.021868	184.4
[M-H]-	317.025374	176.6
[M+NH4]+	336.066473	192.0
[M+K]+	356.995808	176.1
[M+H-H2O]+	301.029910	164.6
[M+HCOO]-	363.030851	181.4
[M+CH3COO]-	377.046501	183.4
[M+Na-2H]-	339.007316	173.8
[M]+	318.03210142	174.9
[M]-	318.03319858	174.9

Literature stripe

literature stripe

Patent stripe

patents stripe