CID 4191398

Benzo[1,2-c:3,4-c']bis[1,2,5]oxadiazole 3,6-dioxide

Structural Information

Molecular Formula
C6H2N4O4
SMILES
C1=C2C(=NON2[O-])C3=NO[N+](=O)C3=C1
InChI
InChI=1S/C6H2N4O4/c11-9-3-1-2-4-6(5(3)7-13-9)8-14-10(4)12/h1-2H
InChIKey
BHURVMDIIWLPPA-UHFFFAOYSA-N
Compound name
6-oxido-[1,2,5]oxadiazolo[3,4-e][2,1,3]benzoxadiazol-3-ium 3-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

194.0076 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.01488 130.7
[M+Na]+ 216.99682 145.4
[M-H]- 193.00032 133.5
[M+NH4]+ 212.04142 147.1
[M+K]+ 232.97076 140.2
[M+H-H2O]+ 177.00486 128.6
[M+HCOO]- 239.00580 152.8
[M+CH3COO]- 253.02145 170.4
[M+Na-2H]- 214.98227 143.5
[M]+ 194.00705 136.4
[M]- 194.00815 136.4
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