CID 24212830

N-(4-bromo-2-chlorophenyl)-3-(2-chloro-3-methoxyphenyl)propanamide

Structural Information

Molecular Formula
C16H14BrCl2NO2
SMILES
COC1=CC=CC(=C1Cl)CCC(=O)NC2=C(C=C(C=C2)Br)Cl
InChI
InChI=1S/C16H14BrCl2NO2/c1-22-14-4-2-3-10(16(14)19)5-8-15(21)20-13-7-6-11(17)9-12(13)18/h2-4,6-7,9H,5,8H2,1H3,(H,20,21)
InChIKey
FMNCDAZBZRINBD-UHFFFAOYSA-N
Compound name
N-(4-bromo-2-chlorophenyl)-3-(2-chloro-3-methoxyphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.9585 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.96578 179.9
[M+Na]+ 423.94772 185.9
[M+NH4]+ 418.99232 184.7
[M+K]+ 439.92166 183.0
[M-H]- 399.95122 182.7
[M+Na-2H]- 421.93317 184.5
[M]+ 400.95795 181.1
[M]- 400.95905 181.1
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.