CID 4089943

N-(4-(2,4-dibromophenoxy)phenyl)acetamide

Structural Information

Molecular Formula
C14H11Br2NO2
SMILES
CC(=O)NC1=CC=C(C=C1)OC2=C(C=C(C=C2)Br)Br
InChI
InChI=1S/C14H11Br2NO2/c1-9(18)17-11-3-5-12(6-4-11)19-14-7-2-10(15)8-13(14)16/h2-8H,1H3,(H,17,18)
InChIKey
JJCDXXWNPBYQME-UHFFFAOYSA-N
Compound name
N-[4-(2,4-dibromophenoxy)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.91565 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.92293 161.3
[M+Na]+ 405.90487 170.6
[M-H]- 381.90837 170.1
[M+NH4]+ 400.94947 177.2
[M+K]+ 421.87881 155.1
[M+H-H2O]+ 365.91291 167.6
[M+HCOO]- 427.91385 177.7
[M+CH3COO]- 441.92950 216.8
[M+Na-2H]- 403.89032 166.5
[M]+ 382.91510 195.6
[M]- 382.91620 195.6
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.