CID 18675731

1190965-20-8

Structural Information

Molecular Formula

C₁₂H₁₄ClNO

SMILES

C1CNCCC12C3=C(CO2)C=C(C=C3)Cl

InChI

InChI=1S/C12H14ClNO/c13-10-1-2-11-9(7-10)8-15-12(11)3-5-14-6-4-12/h1-2,7,14H,3-6,8H2

InChIKey

ZUKZVXUSZUGBOH-UHFFFAOYSA-N

Compound name

6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 223.07639 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]+	224.08367	147.4
[M+Na]+	246.06561	160.6
[M+NH4]+	241.11021	159.1
[M+K]+	262.03955	152.7
[M-H]-	222.06911	152.0
[M+Na-2H]-	244.05106	154.1
[M]+	223.07584	151.1
[M]-	223.07694	151.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe