CID 2732129

Maybridge3_005912

Structural Information

Molecular Formula

C₁₁H₁₂Cl₂N₂O₂

SMILES

C1=CC(=C(C(=C1)Cl)C(CC(=O)N)CC(=O)N)Cl

InChI

InChI=1S/C11H12Cl2N2O2/c12-7-2-1-3-8(13)11(7)6(4-9(14)16)5-10(15)17/h1-3,6H,4-5H2,(H2,14,16)(H2,15,17)

InChIKey

YILQWHJOWKNDEQ-UHFFFAOYSA-N

Compound name

3-(2,6-dichlorophenyl)pentanediamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 7
Patents: 274.0276 Da
Monoisotopic Mass: 0.9
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]+	275.034876	158.5
[M+Na]+	297.016818	166.1
[M-H]-	273.020324	160.8
[M+NH4]+	292.061423	175.0
[M+K]+	312.990758	160.9
[M+H-H2O]+	257.024860	154.3
[M+HCOO]-	319.025801	171.7
[M+CH3COO]-	333.041451	201.6
[M+Na-2H]-	295.002266	157.8
[M]+	274.02705142	159.4
[M]-	274.02814858	159.4

Literature stripe

literature stripe

Patent stripe

patents stripe