CID 2305716

401642-67-9

Structural Information

Molecular Formula

C₁₁H₁₂ClNO

SMILES

C1CC2=C(C1)C=C(C=C2)NC(=O)CCl

InChI

InChI=1S/C11H12ClNO/c12-7-11(14)13-10-5-4-8-2-1-3-9(8)6-10/h4-6H,1-3,7H2,(H,13,14)

InChIKey

XCKKTHZBBNGEAK-UHFFFAOYSA-N

Compound name

2-chloro-N-(2,3-dihydro-1H-inden-5-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 18
Patents: 209.06075 Da
Monoisotopic Mass: 2.6
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]+	210.06803	145.4
[M+Na]+	232.04997	153.3
[M-H]-	208.05347	149.6
[M+NH4]+	227.09457	167.7
[M+K]+	248.02391	148.7
[M+H-H2O]+	192.05801	140.4
[M+HCOO]-	254.05895	164.4
[M+CH3COO]-	268.07460	186.1
[M+Na-2H]-	230.03542	150.1
[M]+	209.06020	145.8
[M]-	209.06130	145.8

Literature stripe

literature stripe

Patent stripe

patents stripe