CID 116144

Salicil, 3,3'-bis(4-sulfo-1-phenyl)azo-5,5'-dibromo-

Structural Information

Molecular Formula
C26H16Br2N4O10S2
SMILES
C1=CC(=CC=C1N=NC2=CC(=CC(=C2O)C(=O)C(=O)C3=C(C(=CC(=C3)Br)N=NC4=CC=C(C=C4)S(=O)(=O)O)O)Br)S(=O)(=O)O
InChI
InChI=1S/C26H16Br2N4O10S2/c27-13-9-19(23(33)21(11-13)31-29-15-1-5-17(6-2-15)43(37,38)39)25(35)26(36)20-10-14(28)12-22(24(20)34)32-30-16-3-7-18(8-4-16)44(40,41)42/h1-12,33-34H,(H,37,38,39)(H,40,41,42)
InChIKey
NKNDDNAPXMOCOO-UHFFFAOYSA-N
Compound name
4-[[5-bromo-3-[2-[5-bromo-2-hydroxy-3-[(4-sulfophenyl)diazenyl]phenyl]-2-oxoacetyl]-2-hydroxyphenyl]diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

765.86743 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 766.87471 200.3
[M+Na]+ 788.85665 203.4
[M-H]- 764.86015 210.8
[M+NH4]+ 783.90125 201.2
[M+K]+ 804.83059 190.0
[M+H-H2O]+ 748.86469 201.3
[M+HCOO]- 810.86563 207.1
[M+CH3COO]- 824.88128 270.4
[M+Na-2H]- 786.84210 208.5
[M]+ 765.86688 235.6
[M]- 765.86798 235.6
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.