CID 16244421

886762-89-6

Structural Information

Molecular Formula

C₉H₉Cl₂NO

SMILES

C1COC2=C(C1N)C=C(C=C2Cl)Cl

InChI

InChI=1S/C9H9Cl2NO/c10-5-3-6-8(12)1-2-13-9(6)7(11)4-5/h3-4,8H,1-2,12H2

InChIKey

KJGMEAMNMDDGQA-UHFFFAOYSA-N

Compound name

6,8-dichloro-3,4-dihydro-2H-chromen-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 217.00612 Da
Monoisotopic Mass: 2.2
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]+	218.01340	140.3
[M+Na]+	239.99534	155.2
[M+NH4]+	235.03994	150.7
[M+K]+	255.96928	147.4
[M-H]-	215.99884	145.3
[M+Na-2H]-	237.98079	146.6
[M]+	217.00557	144.5
[M]-	217.00667	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe