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

31
Patents

256.08478 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.092056 154.8
[M+Na]+ 279.073998 161.1
[M-H]- 255.077504 162.9
[M+NH4]+ 274.118603 171.2
[M+K]+ 295.047938 159.1
[M+H-H2O]+ 239.082040 146.2
[M+HCOO]- 301.082981 182.8
[M+CH3COO]- 315.098631 200.3
[M+Na-2H]- 277.059446 162.2
[M]+ 256.08423142 156.8
[M]- 256.08532858 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

literature stripe

Patent stripe

patents stripe