CID 5342482

303065-87-4

Structural Information

Molecular Formula
C13H11BrN2O3
SMILES
C1=COC(=C1)/C=N/NC(=O)COC2=CC=C(C=C2)Br
InChI
InChI=1S/C13H11BrN2O3/c14-10-3-5-11(6-4-10)19-9-13(17)16-15-8-12-2-1-7-18-12/h1-8H,9H2,(H,16,17)/b15-8+
InChIKey
PHVDFFRFSAAOGD-OVCLIPMQSA-N
Compound name
2-(4-bromophenoxy)-N-[(E)-furan-2-ylmethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.9953 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.00258 167.6
[M+Na]+ 344.98452 169.2
[M+NH4]+ 340.02912 171.1
[M+K]+ 360.95846 170.7
[M-H]- 320.98802 170.7
[M+Na-2H]- 342.96997 170.9
[M]+ 321.99475 167.3
[M]- 321.99585 167.3
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.