CID 8659

135-12-6

Structural Information

Molecular Formula

C₁₂H₇Cl₂NO₃

SMILES

C1=CC(=CC=C1OC2=C(C=C(C=C2)Cl)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H7Cl2NO3/c13-8-1-4-10(5-2-8)18-12-6-3-9(14)7-11(12)15(16)17/h1-7H

InChIKey

XEGBVDXTOVJCSJ-UHFFFAOYSA-N

Compound name

4-chloro-1-(4-chlorophenoxy)-2-nitrobenzene

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 160
Patents: 282.9803 Da
Monoisotopic Mass: 4.4
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]+	283.98758	158.2
[M+Na]+	305.96952	167.2
[M-H]-	281.97302	164.2
[M+NH4]+	301.01412	174.4
[M+K]+	321.94346	158.2
[M+H-H2O]+	265.97756	157.3
[M+HCOO]-	327.97850	174.5
[M+CH3COO]-	341.99415	191.3
[M+Na-2H]-	303.95497	164.3
[M]+	282.97975	161.5
[M]-	282.98085	161.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe