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

literature stripe

Patent stripe

patents stripe