CID 136156577

Dtxsid601341047

Structural Information

Molecular Formula
C16H11ClN2O6S
SMILES
C1=CC(=C(C2=C(C=C(C=C21)S(=O)(=O)O)O)N=NC3=C(C=CC(=C3)Cl)O)O
InChI
InChI=1S/C16H11ClN2O6S/c17-9-2-4-12(20)11(6-9)18-19-16-13(21)3-1-8-5-10(26(23,24)25)7-14(22)15(8)16/h1-7,20-22H,(H,23,24,25)
InChIKey
UDDMAYGAIGYCAT-UHFFFAOYSA-N
Compound name
5-[(5-chloro-2-hydroxyphenyl)diazenyl]-4,6-dihydroxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.00262 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.00990 184.7
[M+Na]+ 416.99184 197.6
[M+NH4]+ 412.03644 190.5
[M+K]+ 432.96578 190.7
[M-H]- 392.99534 187.6
[M+Na-2H]- 414.97729 190.8
[M]+ 394.00207 188.0
[M]- 394.00317 188.0
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.