CID 3022160

93658-86-7

Structural Information

Molecular Formula
C16H12N2O5S
SMILES
C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)N=NC3=C(C=C(C=C3)O)O
InChI
InChI=1S/C16H12N2O5S/c19-10-7-8-14(15(20)9-10)18-17-13-5-1-4-12-11(13)3-2-6-16(12)24(21,22)23/h1-9,19-20H,(H,21,22,23)
InChIKey
DRNZDUCLSSXXHX-UHFFFAOYSA-N
Compound name
5-[(2,4-dihydroxyphenyl)diazenyl]naphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.0467 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.053976 173.1
[M+Na]+ 367.035918 181.9
[M-H]- 343.039424 180.1
[M+NH4]+ 362.080523 186.5
[M+K]+ 383.009858 177.2
[M+H-H2O]+ 327.043960 165.4
[M+HCOO]- 389.044901 191.7
[M+CH3COO]- 403.060551 210.4
[M+Na-2H]- 365.021366 180.5
[M]+ 344.04615142 176.7
[M]- 344.04724858 176.7
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.