CID 6416107

202823-67-4

Structural Information

Molecular Formula

C₁₀H₁₀Cl₂N₂

SMILES

C1CC2CCC1C3=C2C(=NN=C3Cl)Cl

InChI

InChI=1S/C10H10Cl2N2/c11-9-7-5-1-2-6(4-3-5)8(7)10(12)14-13-9/h5-6H,1-4H2

InChIKey

GZIFYLGNTOAIJJ-UHFFFAOYSA-N

Compound name

3,6-dichloro-4,5-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 228.02211 Da
Monoisotopic Mass: 3.6
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]+	229.02939	144.8
[M+Na]+	251.01133	153.3
[M-H]-	227.01483	141.3
[M+NH4]+	246.05593	166.3
[M+K]+	266.98527	148.0
[M+H-H2O]+	211.01937	139.0
[M+HCOO]-	273.02031	146.9
[M+CH3COO]-	287.03596	155.2
[M+Na-2H]-	248.99678	155.2
[M]+	228.02156	148.3
[M]-	228.02266	148.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe