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]+	212.083666	146.0
[M+Na]+	234.065608	153.3
[M-H]-	210.069114	149.6
[M+NH4]+	229.110213	165.6
[M+K]+	250.039548	149.7
[M+H-H2O]+	194.073650	140.9
[M+HCOO]-	256.074591	164.9
[M+CH3COO]-	270.090241	189.3
[M+Na-2H]-	232.051056	149.8
[M]+	211.07584142	147.8
[M]-	211.07693858	147.8

Literature stripe

literature stripe

Patent stripe

patents stripe