CID 16869

Food orange 2

Structural Information

Molecular Formula
C16H12N2O7S2
SMILES
C1=CC(=CC(=C1)S(=O)(=O)O)N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)O)O
InChI
InChI=1S/C16H12N2O7S2/c19-15-7-4-10-8-13(27(23,24)25)5-6-14(10)16(15)18-17-11-2-1-3-12(9-11)26(20,21)22/h1-9,19H,(H,20,21,22)(H,23,24,25)
InChIKey
FDKBMCRSDXMDOJ-UHFFFAOYSA-N
Compound name
6-hydroxy-5-[(3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

469
Patents

408.0086 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.01588 186.6
[M+Na]+ 430.99782 196.7
[M+NH4]+ 426.04242 191.2
[M+K]+ 446.97176 189.8
[M-H]- 407.00132 188.1
[M+Na-2H]- 428.98327 192.7
[M]+ 408.00805 189.2
[M]- 408.00915 189.2
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