CID 209783

20380-98-7

Structural Information

Molecular Formula

C₁₃H₁₃Cl₂NO₂

SMILES

C1CN2C(=O)CCC2(OC1)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C13H13Cl2NO2/c14-10-3-2-9(8-11(10)15)13-5-4-12(17)16(13)6-1-7-18-13/h2-3,8H,1,4-7H2

InChIKey

INFGAGMZYGLIEA-UHFFFAOYSA-N

Compound name

8a-(3,4-dichlorophenyl)-3,4,7,8-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 285.03235 Da
Monoisotopic Mass: 2.5
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]+	286.039626	161.4
[M+Na]+	308.021568	170.8
[M-H]-	284.025074	167.1
[M+NH4]+	303.066173	180.4
[M+K]+	323.995508	165.8
[M+H-H2O]+	268.029610	155.3
[M+HCOO]-	330.030551	169.4
[M+CH3COO]-	344.046201	173.0
[M+Na-2H]-	306.007016	164.3
[M]+	285.03180142	161.7
[M]-	285.03289858	161.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.