CID 2737558

N-(2,5-dichloropentyl)acetamide

Structural Information

Molecular Formula

C₇H₁₃Cl₂NO

SMILES

CC(=O)NCC(CCCCl)Cl

InChI

InChI=1S/C7H13Cl2NO/c1-6(11)10-5-7(9)3-2-4-8/h7H,2-5H2,1H3,(H,10,11)

InChIKey

OARSQJRTKUKHOP-UHFFFAOYSA-N

Compound name

N-(2,5-dichloropentyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 197.03741 Da
Monoisotopic Mass: 1.5
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]+	198.04469	140.1
[M+Na]+	220.02663	150.4
[M+NH4]+	215.07123	148.0
[M+K]+	236.00057	144.2
[M-H]-	196.03013	139.6
[M+Na-2H]-	218.01208	143.6
[M]+	197.03686	141.7
[M]-	197.03796	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe