CID 163634

94276-29-6

Structural Information

Molecular Formula
C16H12N2O6S
SMILES
C1=CC=C(C(=C1)N=NC2=C(C=C3C=CC(=CC3=C2O)O)S(=O)(=O)O)O
InChI
InChI=1S/C16H12N2O6S/c19-10-6-5-9-7-14(25(22,23)24)15(16(21)11(9)8-10)18-17-12-3-1-2-4-13(12)20/h1-8,19-21H,(H,22,23,24)
InChIKey
NUXPUDSOBMWYFO-UHFFFAOYSA-N
Compound name
4,6-dihydroxy-3-[(2-hydroxyphenyl)diazenyl]naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

360.0416 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.04888 177.6
[M+Na]+ 383.03082 189.4
[M+NH4]+ 378.07542 183.1
[M+K]+ 399.00476 183.2
[M-H]- 359.03432 180.3
[M+Na-2H]- 381.01627 183.9
[M]+ 360.04105 180.3
[M]- 360.04215 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.