CID 14353

9-(2-chloroethyl)carbazole

Structural Information

Molecular Formula

C₁₄H₁₂ClN

SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3N2CCCl

InChI

InChI=1S/C14H12ClN/c15-9-10-16-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16/h1-8H,9-10H2

InChIKey

CVSBRGRSQUGIKO-UHFFFAOYSA-N

Compound name

9-(2-chloroethyl)carbazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 68
Patents: 229.06583 Da
Monoisotopic Mass: 3.9
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]+	230.07311	147.3
[M+Na]+	252.05505	164.6
[M+NH4]+	247.09965	158.6
[M+K]+	268.02899	156.0
[M-H]-	228.05855	151.5
[M+Na-2H]-	250.04050	155.9
[M]+	229.06528	151.6
[M]-	229.06638	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe