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 178.0
[M+Na]+ 423.94772 190.6
[M-H]- 399.95122 186.6
[M+NH4]+ 418.99232 194.5
[M+K]+ 439.92166 175.7
[M+H-H2O]+ 383.95576 177.6
[M+HCOO]- 445.95670 190.4
[M+CH3COO]- 459.97235 216.8
[M+Na-2H]- 421.93317 181.2
[M]+ 400.95795 201.5
[M]- 400.95905 201.5
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.