CID 3653634

55613-58-6

Structural Information

Molecular Formula

C₉H₉ClN₂O

SMILES

C1CN(C2=C1C=C(C=C2)Cl)C(=O)N

InChI

InChI=1S/C9H9ClN2O/c10-7-1-2-8-6(5-7)3-4-12(8)9(11)13/h1-2,5H,3-4H2,(H2,11,13)

InChIKey

BOMYLDVQOSGKAD-UHFFFAOYSA-N

Compound name

5-chloro-2,3-dihydroindole-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 196.04034 Da
Monoisotopic Mass: 1.4
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]+	197.04762	140.3
[M+Na]+	219.02956	149.9
[M-H]-	195.03306	143.2
[M+NH4]+	214.07416	161.8
[M+K]+	235.00350	145.5
[M+H-H2O]+	179.03760	134.8
[M+HCOO]-	241.03854	157.9
[M+CH3COO]-	255.05419	183.3
[M+Na-2H]-	217.01501	144.3
[M]+	196.03979	139.8
[M]-	196.04089	139.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.