CID 6496836

883542-09-4

Structural Information

Molecular Formula
C13H11NO5
SMILES
C1=CC(=CC(=C1)OCC(=O)O)NC(=O)C2=CC=CO2
InChI
InChI=1S/C13H11NO5/c15-12(16)8-19-10-4-1-3-9(7-10)14-13(17)11-5-2-6-18-11/h1-7H,8H2,(H,14,17)(H,15,16)
InChIKey
YZZRCBUZPBZOHM-UHFFFAOYSA-N
Compound name
2-[3-(furan-2-carbonylamino)phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.06372 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.07100 157.1
[M+Na]+ 284.05294 167.1
[M+NH4]+ 279.09754 162.9
[M+K]+ 300.02688 165.2
[M-H]- 260.05644 159.9
[M+Na-2H]- 282.03839 162.3
[M]+ 261.06317 158.9
[M]- 261.06427 158.9
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.