CID 3557884

9-(2-iodoacetyl)carbazole

Structural Information

Molecular Formula

C₁₄H₁₀INO

SMILES

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

InChI

InChI=1S/C14H10INO/c15-9-14(17)16-12-7-3-1-5-10(12)11-6-2-4-8-13(11)16/h1-8H,9H2

InChIKey

GKJRPAGERZBTNM-UHFFFAOYSA-N

Compound name

1-carbazol-9-yl-2-iodoethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 334.9807 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]+	335.98798	149.9
[M+Na]+	357.96992	153.3
[M-H]-	333.97342	147.3
[M+NH4]+	353.01452	165.8
[M+K]+	373.94386	154.5
[M+H-H2O]+	317.97796	139.6
[M+HCOO]-	379.97890	167.6
[M+CH3COO]-	393.99455	159.4
[M+Na-2H]-	355.95537	145.6
[M]+	334.98015	149.9
[M]-	334.98125	149.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe