CID 135583318

Cobaltate(3-), bis(6-(amino-kappan)-5-(2-(2-(hydroxy-kappao)-3,5-dinitrophenyl)diazenyl-kappan1)-1-naphthalenesulfonato(3-))-, sodium hydrogen (1:1:2)

Structural Information

Molecular Formula
C16H11N5O8S
SMILES
C1=CC2=C(C=CC(=C2N=NC3=C(C(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])O)N)C(=C1)S(=O)(=O)O
InChI
InChI=1S/C16H11N5O8S/c17-11-5-4-9-10(2-1-3-14(9)30(27,28)29)15(11)19-18-12-6-8(20(23)24)7-13(16(12)22)21(25)26/h1-7,22H,17H2,(H,27,28,29)
InChIKey
GOFSQWCCPKLDOZ-UHFFFAOYSA-N
Compound name
6-amino-5-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]naphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

433.03284 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.04012 185.5
[M+Na]+ 456.02206 188.4
[M-H]- 432.02556 192.1
[M+NH4]+ 451.06666 191.8
[M+K]+ 471.99600 176.9
[M+H-H2O]+ 416.03010 184.3
[M+HCOO]- 478.03104 205.3
[M+CH3COO]- 492.04669 219.2
[M+Na-2H]- 454.00751 197.6
[M]+ 433.03229 183.3
[M]- 433.03339 183.3
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.