CID 76216

Einecs 220-855-5

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

21
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 163.4
[M+Na]+ 333.01519 171.7
[M-H]- 309.01869 168.4
[M+NH4]+ 328.05979 176.4
[M+K]+ 348.98913 167.8
[M+H-H2O]+ 293.02323 156.1
[M+HCOO]- 355.02417 182.1
[M+CH3COO]- 369.03982 200.7
[M+Na-2H]- 331.00064 168.6
[M]+ 310.02542 166.0
[M]- 310.02652 166.0
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

patents stripe