CID 346666

7465-71-6

Structural Information

Molecular Formula

C₁₁H₁₄ClNO

SMILES

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

InChI

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

InChIKey

YVDLPBBDWKACMC-UHFFFAOYSA-N

Compound name

N-butan-2-yl-4-chlorobenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2
Patents: 211.07639 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]+	212.08367	145.8
[M+Na]+	234.06561	158.3
[M+NH4]+	229.11021	154.4
[M+K]+	250.03955	151.4
[M-H]-	210.06911	148.3
[M+Na-2H]-	232.05106	152.4
[M]+	211.07584	148.5
[M]-	211.07694	148.5

Literature stripe

literature stripe

Patent stripe

patents stripe