CID 3055974

73214-12-7

Structural Information

Molecular Formula

C₁₀H₅Cl₂N₅

SMILES

C1=CC(=C(C=C1C2=NC3=NN=CN3N=C2)Cl)Cl

InChI

InChI=1S/C10H5Cl2N5/c11-7-2-1-6(3-8(7)12)9-4-14-17-5-13-16-10(17)15-9/h1-5H

InChIKey

XGGZSSQWHDNADL-UHFFFAOYSA-N

Compound name

7-(3,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 264.9922 Da
Monoisotopic Mass: 2.0
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]+	265.99948	152.3
[M+Na]+	287.98142	166.4
[M-H]-	263.98492	153.2
[M+NH4]+	283.02602	166.1
[M+K]+	303.95536	159.2
[M+H-H2O]+	247.98946	141.8
[M+HCOO]-	309.99040	162.7
[M+CH3COO]-	324.00605	164.2
[M+Na-2H]-	285.96687	159.5
[M]+	264.99165	157.0
[M]-	264.99275	157.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe