CID 106118

67906-61-0

Structural Information

Molecular Formula
C16H13N3O7S2
SMILES
C1=CC(=CC(=C1)S(=O)(=O)O)N=NC2=C(C=CC3=C2C=C(C=C3O)S(=O)(=O)O)N
InChI
InChI=1S/C16H13N3O7S2/c17-14-5-4-12-13(7-11(8-15(12)20)28(24,25)26)16(14)19-18-9-2-1-3-10(6-9)27(21,22)23/h1-8,20H,17H2,(H,21,22,23)(H,24,25,26)
InChIKey
LZFJOVCOABZZFH-UHFFFAOYSA-N
Compound name
7-amino-4-hydroxy-8-[(3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.0195 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.02678 189.8
[M+Na]+ 446.00872 198.5
[M+NH4]+ 441.05332 193.7
[M+K]+ 461.98266 192.6
[M-H]- 422.01222 191.3
[M+Na-2H]- 443.99417 195.1
[M]+ 423.01895 192.0
[M]- 423.02005 192.0
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.