CID 84410

14405-03-9

Structural Information

Molecular Formula

C₁₅H₁₀Cl₃NO₂

SMILES

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

InChI

InChI=1S/C15H10Cl3NO2/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

VCBRYYAFVLDIHK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 39
Patents: 340.97772 Da
Monoisotopic Mass: 4.9
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]+	341.98500	170.3
[M+Na]+	363.96694	179.5
[M-H]-	339.97044	175.5
[M+NH4]+	359.01154	185.0
[M+K]+	379.94088	172.6
[M+H-H2O]+	323.97498	165.3
[M+HCOO]-	385.97592	179.2
[M+CH3COO]-	399.99157	209.7
[M+Na-2H]-	361.95239	171.5
[M]+	340.97717	174.5
[M]-	340.97827	174.5

Literature stripe

literature stripe

Patent stripe

patents stripe