CID 3041603

7-chloro-3,4-dihydro-2h-1-benzopyran-3-amine

Structural Information

Molecular Formula

C₉H₁₀ClNO

SMILES

C1C(COC2=C1C=CC(=C2)Cl)N

InChI

InChI=1S/C9H10ClNO/c10-7-2-1-6-3-8(11)5-12-9(6)4-7/h1-2,4,8H,3,5,11H2

InChIKey

SFCGCBIKHFWQOV-UHFFFAOYSA-N

Compound name

7-chloro-3,4-dihydro-2H-chromen-3-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 18
Patents: 183.04509 Da
Monoisotopic Mass: 1.7
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]+	184.052366	135.7
[M+Na]+	206.034308	144.5
[M-H]-	182.037814	140.3
[M+NH4]+	201.078913	156.0
[M+K]+	222.008248	141.3
[M+H-H2O]+	166.042350	130.9
[M+HCOO]-	228.043291	152.4
[M+CH3COO]-	242.058941	149.2
[M+Na-2H]-	204.019756	143.4
[M]+	183.04454142	134.7
[M]-	183.04563858	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe