CID 2788423

2-(2,4-dibromophenoxy)-n-(tetrahydro-2-furanylmethyl)acetamide

Structural Information

Molecular Formula
C13H15Br2NO3
SMILES
C1CC(OC1)CNC(=O)COC2=C(C=C(C=C2)Br)Br
InChI
InChI=1S/C13H15Br2NO3/c14-9-3-4-12(11(15)6-9)19-8-13(17)16-7-10-2-1-5-18-10/h3-4,6,10H,1-2,5,7-8H2,(H,16,17)
InChIKey
PXUXHMBUWFRXSZ-UHFFFAOYSA-N
Compound name
2-(2,4-dibromophenoxy)-N-(oxolan-2-ylmethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

390.94186 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.94914 171.0
[M+Na]+ 413.93108 178.7
[M-H]- 389.93458 179.7
[M+NH4]+ 408.97568 186.8
[M+K]+ 429.90502 164.7
[M+H-H2O]+ 373.93912 177.4
[M+HCOO]- 435.94006 185.5
[M+CH3COO]- 449.95571 215.7
[M+Na-2H]- 411.91653 174.1
[M]+ 390.94131 204.7
[M]- 390.94241 204.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.