CID 408906

Mordant yellow 3

Structural Information

Molecular Formula
C17H12N2O6S
SMILES
C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C=C1N=NC3=CC(=C(C=C3)O)C(=O)O
InChI
InChI=1S/C17H12N2O6S/c20-16-6-4-13(9-15(16)17(21)22)19-18-12-3-1-11-8-14(26(23,24)25)5-2-10(11)7-12/h1-9,20H,(H,21,22)(H,23,24,25)
InChIKey
DCWXXNCBFBBEEN-UHFFFAOYSA-N
Compound name
2-hydroxy-5-[(6-sulfonaphthalen-2-yl)diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

63
Patents

372.0416 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.04888 180.0
[M+Na]+ 395.03082 191.3
[M+NH4]+ 390.07542 185.3
[M+K]+ 411.00476 185.2
[M-H]- 371.03432 182.6
[M+Na-2H]- 393.01627 186.5
[M]+ 372.04105 182.5
[M]- 372.04215 182.5
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.