CID 112371

70179-81-6

Structural Information

Molecular Formula
C10H7N3O6S
SMILES
C1=CC2=C(C(=CC(=C2C(=C1)[N+](=O)[O-])S(=O)(=O)O)O)N=N
InChI
InChI=1S/C10H7N3O6S/c11-12-10-5-2-1-3-6(13(15)16)9(5)8(4-7(10)14)20(17,18)19/h1-4,11,14H,(H,17,18,19)
InChIKey
ITRVDVQTTRKBEH-UHFFFAOYSA-N
Compound name
4-diazenyl-3-hydroxy-8-nitronaphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.00555 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.01283 155.2
[M+Na]+ 319.99477 165.6
[M+NH4]+ 315.03937 160.6
[M+K]+ 335.96871 163.5
[M-H]- 295.99827 156.9
[M+Na-2H]- 317.98022 159.4
[M]+ 297.00500 157.1
[M]- 297.00610 157.1
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.