CID 11767

9-nitroanthracene

Structural Information

Molecular Formula

C₁₄H₉NO₂

SMILES

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2[N+](=O)[O-]

InChI

InChI=1S/C14H9NO2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H

InChIKey

LSIKFJXEYJIZNB-UHFFFAOYSA-N

Compound name

9-nitroanthracene

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 55
References: 861
Patents: 223.06332 Da
Monoisotopic Mass: 4.8
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]+	224.070596	143.6
[M+Na]+	246.052538	152.6
[M-H]-	222.056044	149.6
[M+NH4]+	241.097143	163.1
[M+K]+	262.026478	144.3
[M+H-H2O]+	206.060580	141.2
[M+HCOO]-	268.061521	168.5
[M+CH3COO]-	282.077171	185.3
[M+Na-2H]-	244.037986	155.8
[M]+	223.06277142	143.8
[M]-	223.06386858	143.8

Literature stripe

literature stripe

Patent stripe

patents stripe