CID 76099

N-(2-benzoyl-4-chlorophenyl)-2-bromo-n-methylacetamide

Structural Information

Molecular Formula
C16H13BrClNO2
SMILES
CN(C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2)C(=O)CBr
InChI
InChI=1S/C16H13BrClNO2/c1-19(15(20)10-17)14-8-7-12(18)9-13(14)16(21)11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKey
ATRGENZZRLPDFV-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-chlorophenyl)-2-bromo-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

364.9818 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.98908 172.7
[M+Na]+ 387.97102 183.2
[M-H]- 363.97452 182.8
[M+NH4]+ 383.01562 189.9
[M+K]+ 403.94496 170.6
[M+H-H2O]+ 347.97906 171.5
[M+HCOO]- 409.98000 189.7
[M+CH3COO]- 423.99565 213.9
[M+Na-2H]- 385.95647 176.0
[M]+ 364.98125 194.5
[M]- 364.98235 194.5
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

patents stripe