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]+	218.013396	142.8
[M+Na]+	239.995338	152.8
[M-H]-	215.998844	146.9
[M+NH4]+	235.039943	162.4
[M+K]+	255.969278	148.3
[M+H-H2O]+	200.003380	138.9
[M+HCOO]-	262.004321	154.3
[M+CH3COO]-	276.019971	155.7
[M+Na-2H]-	237.980786	148.8
[M]+	217.00557142	143.4
[M]-	217.00666858	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe