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 153.2
[M+Na]+ 319.99477 160.7
[M-H]- 295.99827 157.0
[M+NH4]+ 315.03937 167.4
[M+K]+ 335.96871 153.1
[M+H-H2O]+ 280.00281 151.2
[M+HCOO]- 342.00375 172.8
[M+CH3COO]- 356.01940 195.1
[M+Na-2H]- 317.98022 163.3
[M]+ 297.00500 153.7
[M]- 297.00610 153.7
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.