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

16
Patents

204.02028 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.027556 138.9
[M+Na]+ 227.009498 152.8
[M-H]- 203.013004 139.7
[M+NH4]+ 222.054103 157.5
[M+K]+ 242.983438 146.9
[M+H-H2O]+ 187.017540 130.3
[M+HCOO]- 249.018481 155.1
[M+CH3COO]- 263.034131 152.5
[M+Na-2H]- 224.994946 149.1
[M]+ 204.01973142 143.1
[M]- 204.02082858 143.1
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