CID 79640

5504-92-7

Structural Information

Molecular Formula

C₁₅H₁₀BrCl₂NO₂

SMILES

C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)CBr)Cl

InChI

InChI=1S/C15H10BrCl2NO2/c16-8-14(20)19-13-6-5-9(17)7-11(13)15(21)10-3-1-2-4-12(10)18/h1-7H,8H2,(H,19,20)

InChIKey

JQMAWYRGSOSWNJ-UHFFFAOYSA-N

Compound name

2-bromo-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 384.9272 Da
Monoisotopic Mass: 5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	385.93448	172.2
[M+Na]+	407.91642	184.4
[M-H]-	383.91992	180.9
[M+NH4]+	402.96102	188.9
[M+K]+	423.89036	169.6
[M+H-H2O]+	367.92446	172.2
[M+HCOO]-	429.92540	184.3
[M+CH3COO]-	443.94105	213.1
[M+Na-2H]-	405.90187	175.6
[M]+	384.92665	194.0
[M]-	384.92775	194.0

Literature stripe

literature stripe

Patent stripe

patents stripe