CID 16227179

2-chloro-n-(4-propylphenyl)acetamide

Structural Information

Molecular Formula

C₁₁H₁₄ClNO

SMILES

CCCC1=CC=C(C=C1)NC(=O)CCl

InChI

InChI=1S/C11H14ClNO/c1-2-3-9-4-6-10(7-5-9)13-11(14)8-12/h4-7H,2-3,8H2,1H3,(H,13,14)

InChIKey

URRNVZNXDFJSFS-UHFFFAOYSA-N

Compound name

2-chloro-N-(4-propylphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 211.07639 Da
Monoisotopic Mass: 3.4
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]+	212.08367	145.6
[M+Na]+	234.06561	158.4
[M+NH4]+	229.11021	154.3
[M+K]+	250.03955	150.7
[M-H]-	210.06911	148.3
[M+Na-2H]-	232.05106	152.5
[M]+	211.07584	148.4
[M]-	211.07694	148.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe