CID 1550156

2-(3-chlorobenzylidene)-1-tetralone

Structural Information

Molecular Formula

C₁₇H₁₃ClO

SMILES

C1C/C(=C/C2=CC(=CC=C2)Cl)/C(=O)C3=CC=CC=C31

InChI

InChI=1S/C17H13ClO/c18-15-6-3-4-12(11-15)10-14-9-8-13-5-1-2-7-16(13)17(14)19/h1-7,10-11H,8-9H2/b14-10-

InChIKey

BVMZKGRVXZKTJZ-UVTDQMKNSA-N

Compound name

(2Z)-2-[(3-chlorophenyl)methylidene]-3,4-dihydronaphthalen-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 268.0655 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]+	269.072776	159.2
[M+Na]+	291.054718	168.1
[M-H]-	267.058224	166.4
[M+NH4]+	286.099323	177.5
[M+K]+	307.028658	160.9
[M+H-H2O]+	251.062760	152.3
[M+HCOO]-	313.063701	175.5
[M+CH3COO]-	327.079351	171.4
[M+Na-2H]-	289.040166	164.0
[M]+	268.06495142	158.5
[M]-	268.06604858	158.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe