CID 136058593

Cuprate(2-), (4-(hydroxy-kappao)-5-((2-(hydroxy-kappao)-5-methylphenyl)azo-kappan1)-1,3-benzenedisulfonato(4-))-, disodium

Structural Information

Molecular Formula
C13H12N2O8S2
SMILES
CC1=CC(=C(C=C1)O)N=NC2=C(C(=CC(=C2)S(=O)(=O)O)S(=O)(=O)O)O
InChI
InChI=1S/C13H12N2O8S2/c1-7-2-3-11(16)9(4-7)14-15-10-5-8(24(18,19)20)6-12(13(10)17)25(21,22)23/h2-6,16-17H,1H3,(H,18,19,20)(H,21,22,23)
InChIKey
BFKIGNGGPDMNTB-UHFFFAOYSA-N
Compound name
4-hydroxy-5-[(2-hydroxy-5-methylphenyl)diazenyl]benzene-1,3-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.0035 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.01078 184.0
[M+Na]+ 410.99272 191.9
[M+NH4]+ 406.03732 186.8
[M+K]+ 426.96666 187.3
[M-H]- 386.99622 183.4
[M+Na-2H]- 408.97817 187.6
[M]+ 388.00295 185.4
[M]- 388.00405 185.4
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.