CID 6410404

1,2,4-triazino[5,6-c]quinoline, 3-chloro-

Structural Information

Molecular Formula
C10H5ClN4
SMILES
C1=CC=C2C(=C1)C3=C(C=N2)N=C(N=N3)Cl
InChI
InChI=1S/C10H5ClN4/c11-10-13-8-5-12-7-4-2-1-3-6(7)9(8)14-15-10/h1-5H
InChIKey
FNBQVZCPXOEFEK-UHFFFAOYSA-N
Compound name
3-chloro-[1,2,4]triazino[5,6-c]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

216.02028 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.02756 141.8
[M+Na]+ 239.00950 155.3
[M-H]- 215.01300 142.2
[M+NH4]+ 234.05410 157.9
[M+K]+ 254.98344 148.7
[M+H-H2O]+ 199.01754 132.6
[M+HCOO]- 261.01848 156.8
[M+CH3COO]- 275.03413 154.6
[M+Na-2H]- 236.99495 154.9
[M]+ 216.01973 145.5
[M]- 216.02083 145.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.