CID 388084

Nsc682547

Structural Information

Molecular Formula

C₁₀H₉Cl₂N₃O

SMILES

C1CC(OC1)N2C3=CC(=C(C=C3N=N2)Cl)Cl

InChI

InChI=1S/C10H9Cl2N3O/c11-6-4-8-9(5-7(6)12)15(14-13-8)10-2-1-3-16-10/h4-5,10H,1-3H2

InChIKey

BHBGEYKZKBMMDT-UHFFFAOYSA-N

Compound name

5,6-dichloro-1-(oxolan-2-yl)benzotriazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 257.01227 Da
Monoisotopic Mass: 2.8
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]+	258.01955	153.8
[M+Na]+	280.00149	165.9
[M-H]-	256.00499	157.7
[M+NH4]+	275.04609	171.3
[M+K]+	295.97543	161.3
[M+H-H2O]+	240.00953	145.8
[M+HCOO]-	302.01047	164.4
[M+CH3COO]-	316.02612	166.3
[M+Na-2H]-	277.98694	156.5
[M]+	257.01172	157.6
[M]-	257.01282	157.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.