CID 136033779

83562-73-6

Structural Information

Molecular Formula
C18H14N4O8S2
SMILES
C1=CC(=CC=C1N=NC2=CC(=C(C=C2O)O)N=NC3=CC=C(C=C3)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C18H14N4O8S2/c23-17-10-18(24)16(22-20-12-3-7-14(8-4-12)32(28,29)30)9-15(17)21-19-11-1-5-13(6-2-11)31(25,26)27/h1-10,23-24H,(H,25,26,27)(H,28,29,30)
InChIKey
XOGMFYTYDBUIQF-UHFFFAOYSA-N
Compound name
4-[[2,4-dihydroxy-5-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

478.0253 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.03258 202.7
[M+Na]+ 501.01452 211.0
[M+NH4]+ 496.05912 205.3
[M+K]+ 516.98846 205.2
[M-H]- 477.01802 206.0
[M+Na-2H]- 498.99997 210.3
[M]+ 478.02475 205.3
[M]- 478.02585 205.3
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

patents stripe