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 165.2
[M+Na]+ 344.98452 174.7
[M-H]- 320.98802 176.0
[M+NH4]+ 340.02912 183.2
[M+K]+ 360.95846 165.0
[M+H-H2O]+ 304.99256 162.8
[M+HCOO]- 366.99350 190.3
[M+CH3COO]- 381.00915 205.4
[M+Na-2H]- 342.96997 172.0
[M]+ 321.99475 186.4
[M]- 321.99585 186.4
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.