CID 417428

5,6-dichloro-1h-1,2,3-benzotriazole

Structural Information

Molecular Formula

C₆H₃Cl₂N₃

SMILES

C1=C(C(=CC2=NNN=C21)Cl)Cl

InChI

InChI=1S/C6H3Cl2N3/c7-3-1-5-6(2-4(3)8)10-11-9-5/h1-2H,(H,9,10,11)

InChIKey

HHEBHJLYNLALHM-UHFFFAOYSA-N

Compound name

5,6-dichloro-2H-benzotriazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 499
Patents: 186.9704 Da
Monoisotopic Mass: 2.3
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]+	187.97768	131.1
[M+Na]+	209.95962	144.6
[M-H]-	185.96312	130.3
[M+NH4]+	205.00422	150.6
[M+K]+	225.93356	138.4
[M+H-H2O]+	169.96766	124.7
[M+HCOO]-	231.96860	143.1
[M+CH3COO]-	245.98425	144.6
[M+Na-2H]-	207.94507	138.9
[M]+	186.96985	133.8
[M]-	186.97095	133.8

Literature stripe

literature stripe

Patent stripe

patents stripe