CID 105975

Einecs 267-580-7

Structural Information

Molecular Formula
C20H14N2O7S2
SMILES
C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C4=C(C=C3)C(=CC=C4)S(=O)(=O)O)S(=O)(=O)O)O
InChI
InChI=1S/C20H14N2O7S2/c23-17-11-8-12-4-1-2-5-13(12)19(17)22-21-16-10-9-14-15(20(16)31(27,28)29)6-3-7-18(14)30(24,25)26/h1-11,23H,(H,24,25,26)(H,27,28,29)
InChIKey
MILBUOZMHFETOE-UHFFFAOYSA-N
Compound name
2-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1,5-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

458.02423 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.03151 198.5
[M+Na]+ 481.01345 210.9
[M+NH4]+ 476.05805 203.8
[M+K]+ 496.98739 202.5
[M-H]- 457.01695 201.4
[M+Na-2H]- 478.99890 206.0
[M]+ 458.02368 202.0
[M]- 458.02478 202.0
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.