CID 75980

1,4-dichloro-5-nitronaphthalene

Structural Information

Molecular Formula

C₁₀H₅Cl₂NO₂

SMILES

C1=CC2=C(C=CC(=C2C(=C1)[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C10H5Cl2NO2/c11-7-4-5-8(12)10-6(7)2-1-3-9(10)13(14)15/h1-5H

InChIKey

UFYHMOUUBQRTOS-UHFFFAOYSA-N

Compound name

1,4-dichloro-5-nitronaphthalene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 240.96973 Da
Monoisotopic Mass: 4.3
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]+	241.977006	146.0
[M+Na]+	263.958948	156.2
[M-H]-	239.962454	150.0
[M+NH4]+	259.003553	165.3
[M+K]+	279.932888	147.1
[M+H-H2O]+	223.966990	146.7
[M+HCOO]-	285.967931	161.4
[M+CH3COO]-	299.983581	185.2
[M+Na-2H]-	261.944396	153.8
[M]+	240.96918142	148.5
[M]-	240.97027858	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe