CID 68709595

191608-23-8

Structural Information

Molecular Formula

C₉H₁₀ClNO

SMILES

C1COC2=C(C1N)C=CC(=C2)Cl

InChI

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

InChIKey

ZKRTWXXJEXSHCT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 183.04509 Da
Monoisotopic Mass: 1.5
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]+	184.05237	134.2
[M+Na]+	206.03431	148.4
[M+NH4]+	201.07891	144.7
[M+K]+	222.00825	141.1
[M-H]-	182.03781	139.5
[M+Na-2H]-	204.01976	140.8
[M]+	183.04454	138.1
[M]-	183.04564	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe