CID 73169086

Sodium 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate

Structural Information

Molecular Formula
C10H7N2O4S
SMILES
C1=CC2=C(C=CC(=[N+]=N)C2=O)C(=C1)S(=O)(=O)O
InChI
InChI=1S/C10H6N2O4S/c11-12-8-5-4-6-7(10(8)13)2-1-3-9(6)17(14,15)16/h1-5,11H/p+1
InChIKey
VDINEHCVDCKHRN-UHFFFAOYSA-O
Compound name
imino-(1-oxo-5-sulfonaphthalen-2-ylidene)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

251.01265 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.01993 146.1
[M+Na]+ 274.00187 155.3
[M-H]- 250.00537 151.5
[M+NH4]+ 269.04647 163.8
[M+K]+ 289.97581 145.6
[M+H-H2O]+ 234.00991 143.0
[M+HCOO]- 296.01085 165.2
[M+CH3COO]- 310.02650 185.7
[M+Na-2H]- 271.98732 156.2
[M]+ 251.01210 145.8
[M]- 251.01320 145.8
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.