CID 67227

130-59-6

Structural Information

Molecular Formula
C10H5N3O6S
SMILES
C1=CC2=C(C=C3C(=C2C=C1[N+](=O)[O-])N=NO3)S(=O)(=O)O
InChI
InChI=1S/C10H5N3O6S/c14-13(15)5-1-2-6-7(3-5)10-8(19-12-11-10)4-9(6)20(16,17)18/h1-4H,(H,16,17,18)
InChIKey
SQHJNWIFJGDCQA-UHFFFAOYSA-N
Compound name
8-nitrobenzo[e][1,2,3]benzoxadiazole-5-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.9899 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.99718 154.6
[M+Na]+ 317.97912 168.1
[M+NH4]+ 313.02372 160.8
[M+K]+ 333.95306 167.4
[M-H]- 293.98262 156.4
[M+Na-2H]- 315.96457 158.6
[M]+ 294.98935 157.3
[M]- 294.99045 157.3
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.