CID 2305635

3910-51-8

Structural Information

Molecular Formula

C₁₁H₁₄ClNO

SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CCl)C

InChI

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

InChIKey

YQYQXBOOGVRRKI-UHFFFAOYSA-N

Compound name

2-chloro-N-(2,4,6-trimethylphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 211.07639 Da
Monoisotopic Mass: 2.8
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	144.9
[M+Na]+	234.065608	154.3
[M-H]-	210.069114	149.1
[M+NH4]+	229.110213	165.1
[M+K]+	250.039548	150.3
[M+H-H2O]+	194.073650	140.2
[M+HCOO]-	256.074591	164.7
[M+CH3COO]-	270.090241	190.8
[M+Na-2H]-	232.051056	148.5
[M]+	211.07584142	148.0
[M]-	211.07693858	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe