CID 103760

53207-50-4

Structural Information

Molecular Formula

C₁₁H₁₂ClNO

SMILES

CC1CN(C2=C(C1=O)C=CC(=C2)Cl)C

InChI

InChI=1S/C11H12ClNO/c1-7-6-13(2)10-5-8(12)3-4-9(10)11(7)14/h3-5,7H,6H2,1-2H3

InChIKey

KDBHLDQRLXPURK-UHFFFAOYSA-N

Compound name

7-chloro-1,3-dimethyl-2,3-dihydroquinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 209.06075 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]+	210.06803	142.2
[M+Na]+	232.04997	152.9
[M-H]-	208.05347	145.6
[M+NH4]+	227.09457	162.5
[M+K]+	248.02391	148.2
[M+H-H2O]+	192.05801	136.7
[M+HCOO]-	254.05895	157.6
[M+CH3COO]-	268.07460	187.7
[M+Na-2H]-	230.03542	147.3
[M]+	209.06020	143.5
[M]-	209.06130	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe