CID 1474501

124379-29-9

Structural Information

Molecular Formula

C₁₆H₁₂Cl₂O

SMILES

C1CC(=O)C2=CC=CC=C2[C@@H]1C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C16H12Cl2O/c17-14-7-5-10(9-15(14)18)11-6-8-16(19)13-4-2-1-3-12(11)13/h1-5,7,9,11H,6,8H2/t11-/m0/s1

InChIKey

JGMBHJNMQVKDMW-NSHDSACASA-N

Compound name

(4S)-4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 491
Patents: 290.02652 Da
Monoisotopic Mass: 4.7
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]+	291.03380	160.8
[M+Na]+	313.01574	179.0
[M+NH4]+	308.06034	171.8
[M+K]+	328.98968	168.2
[M-H]-	289.01924	167.0
[M+Na-2H]-	311.00119	170.3
[M]+	290.02597	166.1
[M]-	290.02707	166.1

Literature stripe

literature stripe

Patent stripe

patents stripe