CID 32154

Propyzamide

Structural Information

Molecular Formula

C₁₂H₁₁Cl₂NO

SMILES

CC(C)(C#C)NC(=O)C1=CC(=CC(=C1)Cl)Cl

InChI

InChI=1S/C12H11Cl2NO/c1-4-12(2,3)15-11(16)8-5-9(13)7-10(14)6-8/h1,5-7H,2-3H3,(H,15,16)

InChIKey

PHNUZKMIPFFYSO-UHFFFAOYSA-N

Compound name

3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 79
References: 25106
Patents: 255.02177 Da
Monoisotopic Mass: 3.2
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]+	256.029046	158.4
[M+Na]+	278.010988	169.9
[M-H]-	254.014494	160.5
[M+NH4]+	273.055593	174.9
[M+K]+	293.984928	162.9
[M+H-H2O]+	238.019030	148.8
[M+HCOO]-	300.019971	166.7
[M+CH3COO]-	314.035621	202.4
[M+Na-2H]-	275.996436	160.9
[M]+	255.02122142	155.7
[M]-	255.02231858	155.7

Literature stripe

literature stripe

Patent stripe

patents stripe