CID 392977

69370-63-4

Structural Information

Molecular Formula
C6H2N6O2
SMILES
C12=NNN=C1C(=O)C3=NNN=C3C2=O
InChI
InChI=1S/C6H2N6O2/c13-5-1-2(8-11-7-1)6(14)4-3(5)9-12-10-4/h(H,7,8,11)(H,9,10,12)
InChIKey
RFJQFDNFQDAVHT-UHFFFAOYSA-N
Compound name
2,6-dihydrotriazolo[4,5-f]benzotriazole-4,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

190.02393 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.03121 138.8
[M+Na]+ 213.01315 152.5
[M-H]- 189.01665 135.8
[M+NH4]+ 208.05775 154.8
[M+K]+ 228.98709 147.6
[M+H-H2O]+ 173.02119 130.8
[M+HCOO]- 235.02213 155.3
[M+CH3COO]- 249.03778 151.0
[M+Na-2H]- 210.99860 144.8
[M]+ 190.02338 139.1
[M]- 190.02448 139.1
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