CID 11437

Alizarin yellow gg

Structural Information

Molecular Formula
C13H9N3O5
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])N=NC2=CC(=C(C=C2)O)C(=O)O
InChI
InChI=1S/C13H9N3O5/c17-12-5-4-9(7-11(12)13(18)19)15-14-8-2-1-3-10(6-8)16(20)21/h1-7,17H,(H,18,19)
InChIKey
LJOXBIGRIKPBSQ-UHFFFAOYSA-N
Compound name
2-hydroxy-5-[(3-nitrophenyl)diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

1612
Patents

287.05423 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.06151 160.0
[M+Na]+ 310.04345 172.4
[M+NH4]+ 305.08805 166.1
[M+K]+ 326.01739 170.1
[M-H]- 286.04695 165.0
[M+Na-2H]- 308.02890 167.5
[M]+ 287.05368 162.8
[M]- 287.05478 162.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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