CID 459845

8-amino-2-(3-dibenzofurylazo)-1-naphthol-3,6-disulfonic acid

Structural Information

Molecular Formula
C22H15N3O8S2
SMILES
C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)N=NC4=C(C5=C(C=C(C=C5C=C4S(=O)(=O)O)S(=O)(=O)O)N)O
InChI
InChI=1S/C22H15N3O8S2/c23-16-10-13(34(27,28)29)7-11-8-19(35(30,31)32)21(22(26)20(11)16)25-24-12-5-6-15-14-3-1-2-4-17(14)33-18(15)9-12/h1-10,26H,23H2,(H,27,28,29)(H,30,31,32)
InChIKey
FMNOTDDRXGRJJD-UHFFFAOYSA-N
Compound name
5-amino-3-(dibenzofuran-3-yldiazenyl)-4-hydroxynaphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

513.03 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.03728 212.5
[M+Na]+ 536.01922 222.6
[M-H]- 512.02272 221.3
[M+NH4]+ 531.06382 220.8
[M+K]+ 551.99316 219.5
[M+H-H2O]+ 496.02726 206.2
[M+HCOO]- 558.02820 225.1
[M+CH3COO]- 572.04385 243.3
[M+Na-2H]- 534.00467 224.8
[M]+ 513.02945 222.7
[M]- 513.03055 222.7
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.