CID 135596606

5924-52-7

Structural Information

Molecular Formula
C16H11N3O7S
SMILES
C1=CC=C2C(=C1)C(=CC(=C2O)N=NC3=C(C=C(C=C3)[N+](=O)[O-])O)S(=O)(=O)O
InChI
InChI=1S/C16H11N3O7S/c20-14-7-9(19(22)23)5-6-12(14)17-18-13-8-15(27(24,25)26)10-3-1-2-4-11(10)16(13)21/h1-8,20-21H,(H,24,25,26)
InChIKey
TVDYWLGZGGCGAN-UHFFFAOYSA-N
Compound name
4-hydroxy-3-[(2-hydroxy-4-nitrophenyl)diazenyl]naphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
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]+ 390.039046 178.7
[M+Na]+ 412.020988 184.9
[M-H]- 388.024494 185.4
[M+NH4]+ 407.065593 188.6
[M+K]+ 427.994928 176.9
[M+H-H2O]+ 372.029030 174.6
[M+HCOO]- 434.029971 197.6
[M+CH3COO]- 448.045621 212.5
[M+Na-2H]- 410.006436 188.6
[M]+ 389.03122142 180.3
[M]- 389.03231858 180.3
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.