CID 5113032

49843-98-3

Structural Information

Molecular Formula

C₁₃H₁₃ClN₂O

SMILES

C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N

InChI

InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17)

InChIKey

FUZYTVDVLBBXDL-UHFFFAOYSA-N

Compound name

6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 313
References: 815
Patents: 248.07164 Da
Monoisotopic Mass: 2.5
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]+	249.078916	153.4
[M+Na]+	271.060858	163.1
[M-H]-	247.064364	155.9
[M+NH4]+	266.105463	173.2
[M+K]+	287.034798	156.3
[M+H-H2O]+	231.068900	147.9
[M+HCOO]-	293.069841	168.0
[M+CH3COO]-	307.085491	165.3
[M+Na-2H]-	269.046306	157.2
[M]+	248.07109142	152.1
[M]-	248.07218858	152.1

Literature stripe

literature stripe

Patent stripe

patents stripe