CID 459042

4-phenylazophenoxyacetic acid

Structural Information

Molecular Formula
C14H12N2O3
SMILES
C1=CC=C(C=C1)N=NC2=CC=C(C=C2)OCC(=O)O
InChI
InChI=1S/C14H12N2O3/c17-14(18)10-19-13-8-6-12(7-9-13)16-15-11-4-2-1-3-5-11/h1-9H,10H2,(H,17,18)
InChIKey
JGKOBEFQCFRUSF-UHFFFAOYSA-N
Compound name
2-(4-phenyldiazenylphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

256.08478 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.09206 154.8
[M+Na]+ 279.07400 161.1
[M-H]- 255.07750 162.9
[M+NH4]+ 274.11860 171.2
[M+K]+ 295.04794 159.1
[M+H-H2O]+ 239.08204 146.2
[M+HCOO]- 301.08298 182.8
[M+CH3COO]- 315.09863 200.3
[M+Na-2H]- 277.05945 162.2
[M]+ 256.08423 156.8
[M]- 256.08533 156.8
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.