CID 221833

N-cyclohexyl-2,4-dichlorobenzamide

Structural Information

Molecular Formula

C₁₃H₁₅Cl₂NO

SMILES

C1CCC(CC1)NC(=O)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C13H15Cl2NO/c14-9-6-7-11(12(15)8-9)13(17)16-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,16,17)

InChIKey

FMFXAPQQVBRACZ-UHFFFAOYSA-N

Compound name

2,4-dichloro-N-cyclohexylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 271.05307 Da
Monoisotopic Mass: 4.3
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]+	272.060346	159.5
[M+Na]+	294.042288	165.7
[M-H]-	270.045794	164.6
[M+NH4]+	289.086893	176.6
[M+K]+	310.016228	159.8
[M+H-H2O]+	254.050330	153.9
[M+HCOO]-	316.051271	170.7
[M+CH3COO]-	330.066921	196.8
[M+Na-2H]-	292.027736	161.4
[M]+	271.05252142	157.5
[M]-	271.05361858	157.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.