CID 9558035

259856-55-8

Structural Information

Molecular Formula
C13H11ClN2O3
SMILES
C1=CC=C(C(=C1)OCC(=O)N/N=C/C2=CC=CO2)Cl
InChI
InChI=1S/C13H11ClN2O3/c14-11-5-1-2-6-12(11)19-9-13(17)16-15-8-10-4-3-7-18-10/h1-8H,9H2,(H,16,17)/b15-8+
InChIKey
XKRRUQOMIOJFKI-OVCLIPMQSA-N
Compound name
2-(2-chlorophenoxy)-N-[(E)-furan-2-ylmethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.0458 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.05308 162.0
[M+Na]+ 301.03502 169.5
[M-H]- 277.03852 170.7
[M+NH4]+ 296.07962 179.0
[M+K]+ 317.00896 166.8
[M+H-H2O]+ 261.04306 154.8
[M+HCOO]- 323.04400 185.4
[M+CH3COO]- 337.05965 200.2
[M+Na-2H]- 299.02047 167.5
[M]+ 278.04525 167.1
[M]- 278.04635 167.1
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.