CID 391196

Nsc690029

Structural Information

Molecular Formula
C9H5ClN4
SMILES
C1=CC2=CC3=NNN=C3C(=C2N=C1)Cl
InChI
InChI=1S/C9H5ClN4/c10-7-8-5(2-1-3-11-8)4-6-9(7)13-14-12-6/h1-4H,(H,12,13,14)
InChIKey
LUZPZOHDHGKEEU-UHFFFAOYSA-N
Compound name
4-chloro-2H-triazolo[4,5-g]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

204.02028 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.02756 139.0
[M+Na]+ 227.00950 152.5
[M-H]- 203.01300 138.5
[M+NH4]+ 222.05410 157.0
[M+K]+ 242.98344 145.8
[M+H-H2O]+ 187.01754 130.8
[M+HCOO]- 249.01848 153.8
[M+CH3COO]- 263.03413 152.0
[M+Na-2H]- 224.99495 148.9
[M]+ 204.01973 141.5
[M]- 204.02083 141.5
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.