CID 1126118

62603-54-7

Structural Information

Molecular Formula
C9H5ClN4
SMILES
C1=CC=C2C(=C1)N=C(C3=NN=CN23)Cl
InChI
InChI=1S/C9H5ClN4/c10-8-9-13-11-5-14(9)7-4-2-1-3-6(7)12-8/h1-5H
InChIKey
NLAAGSHTVZHFTR-UHFFFAOYSA-N
Compound name
4-chloro-[1,2,4]triazolo[4,3-a]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

17
Patents

204.02028 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.02756 138.2
[M+Na]+ 227.00950 155.7
[M+NH4]+ 222.05410 147.7
[M+K]+ 242.98344 149.1
[M-H]- 203.01300 139.9
[M+Na-2H]- 224.99495 146.6
[M]+ 204.01973 141.6
[M]- 204.02083 141.6
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

patents stripe