CID 313636

4-chlorotetrazolo[1,5-a]quinoxaline

Structural Information

Molecular Formula
C8H4ClN5
SMILES
C1=CC=C2C(=C1)N=C(C3=NN=NN23)Cl
InChI
InChI=1S/C8H4ClN5/c9-7-8-11-12-13-14(8)6-4-2-1-3-5(6)10-7/h1-4H
InChIKey
KOWYBYDSUFDMGG-UHFFFAOYSA-N
Compound name
4-chlorotetrazolo[1,5-a]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

205.01552 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.02280 139.2
[M+Na]+ 228.00474 153.4
[M-H]- 204.00824 138.6
[M+NH4]+ 223.04934 156.2
[M+K]+ 243.97868 147.6
[M+H-H2O]+ 188.01278 129.8
[M+HCOO]- 250.01372 154.2
[M+CH3COO]- 264.02937 152.3
[M+Na-2H]- 225.99019 149.7
[M]+ 205.01497 143.4
[M]- 205.01607 143.4
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