CID 459046

89872-39-9

Structural Information

Molecular Formula
C13H10N2O4
SMILES
C1=CC=C(C(=C1)C(=O)O)N=NC2=C(C=C(C=C2)O)O
InChI
InChI=1S/C13H10N2O4/c16-8-5-6-11(12(17)7-8)15-14-10-4-2-1-3-9(10)13(18)19/h1-7,16-17H,(H,18,19)
InChIKey
ZFORMMHRWNVVQQ-UHFFFAOYSA-N
Compound name
2-[(2,4-dihydroxyphenyl)diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

258.06406 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07134 153.6
[M+Na]+ 281.05328 161.2
[M-H]- 257.05678 159.9
[M+NH4]+ 276.09788 169.0
[M+K]+ 297.02722 158.5
[M+H-H2O]+ 241.06132 145.9
[M+HCOO]- 303.06226 179.1
[M+CH3COO]- 317.07791 197.3
[M+Na-2H]- 279.03873 159.3
[M]+ 258.06351 153.8
[M]- 258.06461 153.8
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.