CID 3271608

91494-43-8

Structural Information

Molecular Formula

C₁₂H₁₄ClNO

SMILES

CC(C(=O)N1CCCC2=CC=CC=C21)Cl

InChI

InChI=1S/C12H14ClNO/c1-9(13)12(15)14-8-4-6-10-5-2-3-7-11(10)14/h2-3,5,7,9H,4,6,8H2,1H3

InChIKey

HGZBRNUARKFHGK-UHFFFAOYSA-N

Compound name

2-chloro-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 223.07639 Da
Monoisotopic Mass: 2.7
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]+	224.08367	147.1
[M+Na]+	246.06561	160.6
[M+NH4]+	241.11021	156.5
[M+K]+	262.03955	153.2
[M-H]-	222.06911	149.4
[M+Na-2H]-	244.05106	153.1
[M]+	223.07584	149.9
[M]-	223.07694	149.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe