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 198.6
[M+Na]+ 471.01366 207.0
[M-H]- 447.01716 209.4
[M+NH4]+ 466.05826 207.5
[M+K]+ 486.98760 202.1
[M+H-H2O]+ 431.02170 189.6
[M+HCOO]- 493.02264 217.1
[M+CH3COO]- 507.03829 234.9
[M+Na-2H]- 468.99911 204.3
[M]+ 448.02389 205.3
[M]- 448.02499 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

No patent data available for this compound.