CID 113119

63182-22-9

Structural Information

Molecular Formula
C10H6N2O4S
SMILES
C1=CC2=C(C=CC3=C2ON=N3)C(=C1)S(=O)(=O)O
InChI
InChI=1S/C10H6N2O4S/c13-17(14,15)9-3-1-2-7-6(9)4-5-8-10(7)16-12-11-8/h1-5H,(H,13,14,15)
InChIKey
MHUWGDORCNUFEW-UHFFFAOYSA-N
Compound name
benzo[g][1,2,3]benzoxadiazole-6-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.00482 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.01210 149.5
[M+Na]+ 272.99404 163.6
[M+NH4]+ 268.03864 157.0
[M+K]+ 288.96798 158.7
[M-H]- 248.99754 150.9
[M+Na-2H]- 270.97949 154.5
[M]+ 250.00427 152.4
[M]- 250.00537 152.4
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.