CID 76216

C.i. mordant red 5

Structural Information

Molecular Formula
C12H10N2O6S
SMILES
C1=CC(=C(C=C1O)O)N=NC2=C(C=CC(=C2)S(=O)(=O)O)O
InChI
InChI=1S/C12H10N2O6S/c15-7-1-3-9(12(17)5-7)13-14-10-6-8(21(18,19)20)2-4-11(10)16/h1-6,15-17H,(H,18,19,20)
InChIKey
NOYGQBBPVKLDQU-UHFFFAOYSA-N
Compound name
3-[(2,4-dihydroxyphenyl)diazenyl]-4-hydroxybenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

20
Patents

310.02597 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.03325 165.5
[M+Na]+ 333.01519 175.7
[M+NH4]+ 328.05979 170.3
[M+K]+ 348.98913 170.8
[M-H]- 309.01869 166.9
[M+Na-2H]- 331.00064 171.2
[M]+ 310.02542 167.4
[M]- 310.02652 167.4
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