CID 163505

85958-81-2

Structural Information

Molecular Formula
C16H11ClN2O8S2
SMILES
C1=CC2=CC(=C(C(=C2C(=C1)S(=O)(=O)O)O)N=NC3=C(C=CC(=C3)Cl)O)S(=O)(=O)O
InChI
InChI=1S/C16H11ClN2O8S2/c17-9-4-5-11(20)10(7-9)18-19-15-13(29(25,26)27)6-8-2-1-3-12(28(22,23)24)14(8)16(15)21/h1-7,20-21H,(H,22,23,24)(H,25,26,27)
InChIKey
QLMOEQQMZRWAOW-UHFFFAOYSA-N
Compound name
7-[(5-chloro-2-hydroxyphenyl)diazenyl]-8-hydroxynaphthalene-1,6-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.96454 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.97182 197.9
[M+Na]+ 480.95376 208.3
[M+NH4]+ 475.99836 201.8
[M+K]+ 496.92770 201.7
[M-H]- 456.95726 198.6
[M+Na-2H]- 478.93921 202.6
[M]+ 457.96399 200.5
[M]- 457.96509 200.5
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.