CID 1812039

9-(chloroacetyl)-9h-carbazole

Structural Information

Molecular Formula

C₁₄H₁₀ClNO

SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3N2C(=O)CCl

InChI

InChI=1S/C14H10ClNO/c15-9-14(17)16-12-7-3-1-5-10(12)11-6-2-4-8-13(11)16/h1-8H,9H2

InChIKey

NIZUEICMEHKRKX-UHFFFAOYSA-N

Compound name

1-carbazol-9-yl-2-chloroethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 243.04509 Da
Monoisotopic Mass: 3.8
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]+	244.05237	151.6
[M+Na]+	266.03431	163.4
[M-H]-	242.03781	156.3
[M+NH4]+	261.07891	172.8
[M+K]+	282.00825	157.1
[M+H-H2O]+	226.04235	145.4
[M+HCOO]-	288.04329	169.8
[M+CH3COO]-	302.05894	165.3
[M+Na-2H]-	264.01976	158.3
[M]+	243.04454	156.4
[M]-	243.04564	156.4

Literature stripe

literature stripe

Patent stripe

patents stripe