CID 110434

1-naphthalenediazonium, 2-hydroxy-6-nitro-3-sulfo-, inner salt

Structural Information

Molecular Formula
C10H6N3O6S
SMILES
C1=CC2=C(C(=C(C=C2C=C1[N+](=O)[O-])S(=O)(=O)O)O)[N+]#N
InChI
InChI=1S/C10H5N3O6S/c11-12-9-7-2-1-6(13(15)16)3-5(7)4-8(10(9)14)20(17,18)19/h1-4H,(H-,14,17,18,19)/p+1
InChIKey
JWIRDYFKGGJHCD-UHFFFAOYSA-O
Compound name
2-hydroxy-6-nitro-3-sulfonaphthalene-1-diazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.99774 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.00502 173.4
[M+Na]+ 318.98696 182.7
[M-H]- 294.99046 177.0
[M+NH4]+ 314.03156 185.8
[M+K]+ 334.96090 170.7
[M+H-H2O]+ 278.99500 167.3
[M+HCOO]- 340.99594 187.4
[M+CH3COO]- 355.01159 197.1
[M+Na-2H]- 316.97241 182.2
[M]+ 295.99719 168.0
[M]- 295.99829 168.0
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.