CID 165464

Disodium 2-((1-hydroxy-4-sulphonato-2-naphthyl)azo)benzoate

Structural Information

Molecular Formula
C17H12N2O6S
SMILES
C1=CC=C2C(=C1)C(=CC(=C2O)N=NC3=CC=CC=C3C(=O)O)S(=O)(=O)O
InChI
InChI=1S/C17H12N2O6S/c20-16-11-6-2-1-5-10(11)15(26(23,24)25)9-14(16)19-18-13-8-4-3-7-12(13)17(21)22/h1-9,20H,(H,21,22)(H,23,24,25)
InChIKey
MFKHYSFQCICQPA-UHFFFAOYSA-N
Compound name
2-[(1-hydroxy-4-sulfonaphthalen-2-yl)diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

372.0416 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.04888 179.4
[M+Na]+ 395.03082 187.1
[M-H]- 371.03432 186.1
[M+NH4]+ 390.07542 191.1
[M+K]+ 411.00476 183.2
[M+H-H2O]+ 355.03886 171.4
[M+HCOO]- 417.03980 196.9
[M+CH3COO]- 431.05545 216.0
[M+Na-2H]- 393.01627 185.6
[M]+ 372.04105 183.3
[M]- 372.04215 183.3
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.