CID 135666565

83784-11-6

Structural Information

Molecular Formula
C18H11N3O8S
SMILES
C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3N=NC4=C(C(=CC(=C4)[N+](=O)[O-])S(=O)(=O)O)O)O
InChI
InChI=1S/C18H11N3O8S/c22-12-5-6-14-16(10-3-1-2-4-13(10)29-14)17(12)20-19-11-7-9(21(24)25)8-15(18(11)23)30(26,27)28/h1-8,22-23H,(H,26,27,28)
InChIKey
ZHOAJYYZODYLHO-UHFFFAOYSA-N
Compound name
2-hydroxy-3-[(2-hydroxydibenzofuran-1-yl)diazenyl]-5-nitrobenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

429.02667 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.03395 189.6
[M+Na]+ 452.01589 202.0
[M+NH4]+ 447.06049 194.6
[M+K]+ 467.98983 200.8
[M-H]- 428.01939 194.9
[M+Na-2H]- 450.00134 194.7
[M]+ 429.02612 193.0
[M]- 429.02722 193.0
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

patents stripe