CID 85163

Einecs 240-008-3

Structural Information

Molecular Formula
C20H14N2O10S3
SMILES
C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)N=NC3=C(C=CC4=C3C=C(C=C4S(=O)(=O)O)S(=O)(=O)O)O
InChI
InChI=1S/C20H14N2O10S3/c23-17-7-5-14-15(9-11(33(24,25)26)10-19(14)35(30,31)32)20(17)22-21-16-6-8-18(34(27,28)29)13-4-2-1-3-12(13)16/h1-10,23H,(H,24,25,26)(H,27,28,29)(H,30,31,32)
InChIKey
NTXUWNXPKQHRBR-UHFFFAOYSA-N
Compound name
6-hydroxy-5-[(4-sulfonaphthalen-1-yl)diazenyl]naphthalene-1,3-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

537.9811 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 538.98838 212.9
[M+Na]+ 560.97032 221.8
[M+NH4]+ 556.01492 215.3
[M+K]+ 576.94426 215.1
[M-H]- 536.97382 212.8
[M+Na-2H]- 558.95577 218.2
[M]+ 537.98055 215.2
[M]- 537.98165 215.2
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.