CID 56842895

85720-96-3

Structural Information

Molecular Formula
C10H6N2O7S2
SMILES
C1=CC2=C(C=C3C(=C2C(=C1)S(=O)(=O)O)ON=N3)S(=O)(=O)O
InChI
InChI=1S/C10H6N2O7S2/c13-20(14,15)7-3-1-2-5-8(21(16,17)18)4-6-10(9(5)7)19-12-11-6/h1-4H,(H,13,14,15)(H,16,17,18)
InChIKey
LECKNZAHKTZQKV-UHFFFAOYSA-N
Compound name
benzo[g][1,2,3]benzoxadiazole-5,9-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.96164 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.968916 167.4
[M+Na]+ 352.950858 180.1
[M-H]- 328.954364 169.7
[M+NH4]+ 347.995463 180.7
[M+K]+ 368.924798 176.8
[M+H-H2O]+ 312.958900 163.6
[M+HCOO]- 374.959841 176.0
[M+CH3COO]- 388.975491 195.2
[M+Na-2H]- 350.936306 176.5
[M]+ 329.96109142 176.0
[M]- 329.96218858 176.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.