CID 76503

3-nitro-9h-carbazole

Structural Information

Molecular Formula

C₁₂H₈N₂O₂

SMILES

C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C12H8N2O2/c15-14(16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)13-12/h1-7,13H

InChIKey

ZYNHZTIMNJKVLK-UHFFFAOYSA-N

Compound name

3-nitro-9H-carbazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 351
Patents: 212.05858 Da
Monoisotopic Mass: 3.5
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]+	213.06586	140.5
[M+Na]+	235.04780	149.9
[M-H]-	211.05130	144.3
[M+NH4]+	230.09240	160.3
[M+K]+	251.02174	141.1
[M+H-H2O]+	195.05584	138.6
[M+HCOO]-	257.05678	164.2
[M+CH3COO]-	271.07243	178.9
[M+Na-2H]-	233.03325	151.2
[M]+	212.05803	139.5
[M]-	212.05913	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe