CID 66544

Naphth[1,2-d][1,2,3]oxadiazole-5-sulfonic acid, 7-nitro-

Structural Information

Molecular Formula
C10H5N3O6S
SMILES
C1=CC2=C3C(=CC(=C2C=C1[N+](=O)[O-])S(=O)(=O)O)ON=N3
InChI
InChI=1S/C10H5N3O6S/c14-13(15)5-1-2-6-7(3-5)9(20(16,17)18)4-8-10(6)11-12-19-8/h1-4H,(H,16,17,18)
InChIKey
NLBIPCLXYJYOQP-UHFFFAOYSA-N
Compound name
7-nitrobenzo[e][1,2,3]benzoxadiazole-5-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
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 155.7
[M+Na]+ 317.97912 166.6
[M-H]- 293.98262 159.8
[M+NH4]+ 313.02372 169.9
[M+K]+ 333.95306 160.1
[M+H-H2O]+ 277.98716 154.3
[M+HCOO]- 339.98810 172.3
[M+CH3COO]- 354.00375 188.0
[M+Na-2H]- 315.96457 167.7
[M]+ 294.98935 160.6
[M]- 294.99045 160.6
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

patents stripe