CID 2780838

76213-21-3

Structural Information

Molecular Formula

C₁₃H₇Cl₂NO₂

SMILES

C1=CC=C2C(=C1)C3=C(C2(Cl)Cl)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H7Cl2NO2/c14-13(15)11-4-2-1-3-9(11)10-6-5-8(16(17)18)7-12(10)13/h1-7H

InChIKey

OTMGFWXYSTZAHH-UHFFFAOYSA-N

Compound name

9,9-dichloro-2-nitrofluorene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 278.98538 Da
Monoisotopic Mass: 4.1
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]+	279.992656	159.5
[M+Na]+	301.974598	170.4
[M-H]-	277.978104	164.5
[M+NH4]+	297.019203	181.8
[M+K]+	317.948538	160.0
[M+H-H2O]+	261.982640	160.0
[M+HCOO]-	323.983581	174.2
[M+CH3COO]-	337.999231	191.2
[M+Na-2H]-	299.960046	167.2
[M]+	278.98483142	162.8
[M]-	278.98592858	162.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe