CID 136180129

Einecs 310-117-1

Structural Information

Molecular Formula
C16H11N3O7S
SMILES
C1=CC=C(C(=C1)N=NC2=C3C=CC(=CC3=C(C=C2O)S(=O)(=O)O)[N+](=O)[O-])O
InChI
InChI=1S/C16H11N3O7S/c20-13-4-2-1-3-12(13)17-18-16-10-6-5-9(19(22)23)7-11(10)15(8-14(16)21)27(24,25)26/h1-8,20-21H,(H,24,25,26)
InChIKey
JFGHPYPCTJVTRM-UHFFFAOYSA-N
Compound name
3-hydroxy-4-[(2-hydroxyphenyl)diazenyl]-7-nitronaphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.03177 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.03905 178.8
[M+Na]+ 412.02099 190.7
[M+NH4]+ 407.06559 183.9
[M+K]+ 427.99493 187.5
[M-H]- 388.02449 182.8
[M+Na-2H]- 410.00644 185.3
[M]+ 389.03122 181.7
[M]- 389.03232 181.7
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.