CID 90058

23295-00-3

Structural Information

Molecular Formula
C16H11N2O4S
SMILES
C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC3=C2C=CC(=C3O)[N+]#N
InChI
InChI=1S/C16H10N2O4S/c17-18-14-10-9-12-13(16(14)19)7-4-8-15(12)23(20,21)22-11-5-2-1-3-6-11/h1-10H/p+1
InChIKey
JNHDJPUXRUTTMT-UHFFFAOYSA-O
Compound name
1-hydroxy-5-phenoxysulfonylnaphthalene-2-diazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

327.04395 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.05123 187.4
[M+Na]+ 350.03317 198.7
[M-H]- 326.03667 194.4
[M+NH4]+ 345.07777 200.4
[M+K]+ 366.00711 187.6
[M+H-H2O]+ 310.04121 175.8
[M+HCOO]- 372.04215 202.1
[M+CH3COO]- 386.05780 209.5
[M+Na-2H]- 348.01862 194.6
[M]+ 327.04340 184.9
[M]- 327.04450 184.9
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.