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]+ 323.002576 165.2
[M+Na]+ 344.984518 174.7
[M-H]- 320.988024 176.0
[M+NH4]+ 340.029123 183.2
[M+K]+ 360.958458 165.0
[M+H-H2O]+ 304.992560 162.8
[M+HCOO]- 366.993501 190.3
[M+CH3COO]- 381.009151 205.4
[M+Na-2H]- 342.969966 172.0
[M]+ 321.99475142 186.4
[M]- 321.99584858 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.