CID 80955

Trisodium 5-((6,8-disulphonato-2-naphthyl)azo)salicylate

Structural Information

Molecular Formula
C17H12N2O9S2
SMILES
C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)O)S(=O)(=O)O)N=NC3=CC(=C(C=C3)O)C(=O)O
InChI
InChI=1S/C17H12N2O9S2/c20-15-4-3-11(7-14(15)17(21)22)19-18-10-2-1-9-5-12(29(23,24)25)8-16(13(9)6-10)30(26,27)28/h1-8,20H,(H,21,22)(H,23,24,25)(H,26,27,28)
InChIKey
IPLOKBNVCQOUJT-UHFFFAOYSA-N
Compound name
5-[(6,8-disulfonaphthalen-2-yl)diazenyl]-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

451.9984 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.00568 194.5
[M+Na]+ 474.98762 202.6
[M+NH4]+ 470.03222 197.0
[M+K]+ 490.96156 198.1
[M-H]- 450.99112 194.0
[M+Na-2H]- 472.97307 198.7
[M]+ 451.99785 196.0
[M]- 451.99895 196.0
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.