CID 103074

65036-67-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 204.3
[M+Na]+ 501.01452 210.0
[M-H]- 477.01802 213.1
[M+NH4]+ 496.05912 210.0
[M+K]+ 516.98846 205.2
[M+H-H2O]+ 461.02256 194.0
[M+HCOO]- 523.02350 220.4
[M+CH3COO]- 537.03915 237.8
[M+Na-2H]- 498.99997 213.1
[M]+ 478.02475 208.9
[M]- 478.02585 208.9
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.