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]+ 262.070996 155.6
[M+Na]+ 284.052938 161.7
[M-H]- 260.056444 161.9
[M+NH4]+ 279.097543 171.0
[M+K]+ 300.026878 161.0
[M+H-H2O]+ 244.060980 148.5
[M+HCOO]- 306.061921 179.1
[M+CH3COO]- 320.077571 192.5
[M+Na-2H]- 282.038386 159.5
[M]+ 261.06317142 157.9
[M]- 261.06426858 157.9
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.