CID 175055

72379-57-8

Structural Information

Molecular Formula
C18H13ClN4O6S
SMILES
C1=CC(=CC=C1N=NC2=CC(=C(C=C2O)O)N=NC3=C(C=CC(=C3)Cl)O)S(=O)(=O)O
InChI
InChI=1S/C18H13ClN4O6S/c19-10-1-6-16(24)13(7-10)22-23-15-8-14(17(25)9-18(15)26)21-20-11-2-4-12(5-3-11)30(27,28)29/h1-9,24-26H,(H,27,28,29)
InChIKey
CUDSFEVMRAJIAF-UHFFFAOYSA-N
Compound name
4-[[5-[(5-chloro-2-hydroxyphenyl)diazenyl]-2,4-dihydroxyphenyl]diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

448.02444 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.03172 200.0
[M+Na]+ 471.01366 211.9
[M+NH4]+ 466.05826 204.6
[M+K]+ 486.98760 204.7
[M-H]- 447.01716 205.5
[M+Na-2H]- 468.99911 208.5
[M]+ 448.02389 203.7
[M]- 448.02499 203.7
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.