CID 16333

3-((1,5-dihydroxy-2-naphthyl)azo)-4-hydroxybenzenesulphonic acid

Structural Information

Molecular Formula
C16H12N2O6S
SMILES
C1=CC2=C(C=CC(=C2O)N=NC3=C(C=CC(=C3)S(=O)(=O)O)O)C(=C1)O
InChI
InChI=1S/C16H12N2O6S/c19-14-3-1-2-11-10(14)5-6-12(16(11)21)17-18-13-8-9(25(22,23)24)4-7-15(13)20/h1-8,19-21H,(H,22,23,24)
InChIKey
HETKNRGJVSOOEF-UHFFFAOYSA-N
Compound name
3-[(1,5-dihydroxynaphthalen-2-yl)diazenyl]-4-hydroxybenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 175.9
[M+Na]+ 383.03082 184.6
[M-H]- 359.03432 181.7
[M+NH4]+ 378.07542 188.0
[M+K]+ 399.00476 180.1
[M+H-H2O]+ 343.03886 168.4
[M+HCOO]- 405.03980 193.0
[M+CH3COO]- 419.05545 212.1
[M+Na-2H]- 381.01627 182.6
[M]+ 360.04105 179.5
[M]- 360.04215 179.5
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

patents stripe