CID 15588

2243-76-7

Structural Information

Molecular Formula
C13H9N3O5
SMILES
C1=CC(=CC=C1N=NC2=CC(=C(C=C2)O)C(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C13H9N3O5/c17-12-6-3-9(7-11(12)13(18)19)15-14-8-1-4-10(5-2-8)16(20)21/h1-7,17H,(H,18,19)
InChIKey
YVJPMMYYRNHJAU-UHFFFAOYSA-N
Compound name
2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

15
References

1850
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 157.9
[M+Na]+ 310.04345 164.0
[M-H]- 286.04695 165.2
[M+NH4]+ 305.08805 171.5
[M+K]+ 326.01739 157.8
[M+H-H2O]+ 270.05149 154.0
[M+HCOO]- 332.05243 185.5
[M+CH3COO]- 346.06808 198.3
[M+Na-2H]- 308.02890 165.5
[M]+ 287.05368 157.1
[M]- 287.05478 157.1
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.