CID 21118026

67389-43-9

Structural Information

Molecular Formula
C16H12N3O4S
SMILES
C1=CC2=C(C=CC(=C2O)[N+]#N)C(=C1)S(=O)(=O)NC3=CC=C(C=C3)O
InChI
InChI=1S/C16H11N3O4S/c17-18-14-9-8-12-13(16(14)21)2-1-3-15(12)24(22,23)19-10-4-6-11(20)7-5-10/h1-9,17,21H/p+1
InChIKey
NDPMPBXUADOJEQ-UHFFFAOYSA-O
Compound name
1-hydroxy-5-[(4-hydroxyphenyl)sulfamoyl]naphthalene-2-diazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.05484 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.06212 190.5
[M+Na]+ 365.04406 200.8
[M-H]- 341.04756 196.2
[M+NH4]+ 360.08866 202.0
[M+K]+ 381.01800 189.5
[M+H-H2O]+ 325.05210 179.1
[M+HCOO]- 387.05304 204.4
[M+CH3COO]- 401.06869 213.1
[M+Na-2H]- 363.02951 197.4
[M]+ 342.05429 186.0
[M]- 342.05539 186.0
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.