CID 524223

1321-65-9

Structural Information

Molecular Formula

C₁₀H₅Cl₃

SMILES

C1=CC=C2C(=C1)C=C(C(=C2Cl)Cl)Cl

InChI

InChI=1S/C10H5Cl3/c11-8-5-6-3-1-2-4-7(6)9(12)10(8)13/h1-5H

InChIKey

QEPTXDCPBXMWJC-UHFFFAOYSA-N

Compound name

1,2,3-trichloronaphthalene

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 1
References: 531
Patents: 229.94568 Da
Monoisotopic Mass: 5.1
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]+	230.952956	140.7
[M+Na]+	252.934898	153.0
[M-H]-	228.938404	143.9
[M+NH4]+	247.979503	161.6
[M+K]+	268.908838	146.2
[M+H-H2O]+	212.942940	137.6
[M+HCOO]-	274.943881	149.6
[M+CH3COO]-	288.959531	154.0
[M+Na-2H]-	250.920346	147.0
[M]+	229.94513142	144.2
[M]-	229.94622858	144.2

Literature stripe

literature stripe

Patent stripe

patents stripe