CID 500475

Schembl10536033

Structural Information

Molecular Formula

C₁₅H₁₂Cl₂O

SMILES

C1C(COC2=C1C=C(C=C2)Cl)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C15H12Cl2O/c16-13-3-1-10(2-4-13)12-7-11-8-14(17)5-6-15(11)18-9-12/h1-6,8,12H,7,9H2

InChIKey

RWDZXKPGEKJLLQ-UHFFFAOYSA-N

Compound name

6-chloro-3-(4-chlorophenyl)-3,4-dihydro-2H-chromene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 278.02652 Da
Monoisotopic Mass: 4.9
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]+	279.03380	159.0
[M+Na]+	301.01574	168.7
[M-H]-	277.01924	166.2
[M+NH4]+	296.06034	176.2
[M+K]+	316.98968	163.0
[M+H-H2O]+	261.02378	152.9
[M+HCOO]-	323.02472	169.5
[M+CH3COO]-	337.04037	171.2
[M+Na-2H]-	299.00119	164.8
[M]+	278.02597	161.1
[M]-	278.02707	161.1

Literature stripe

literature stripe

Patent stripe

patents stripe