CID 3658100

2-(6-bromo-2-naphthoxy)tetrahydropyran

Structural Information

Molecular Formula

C₁₅H₁₅BrO₂

SMILES

C1CCOC(C1)OC2=CC3=C(C=C2)C=C(C=C3)Br

InChI

InChI=1S/C15H15BrO2/c16-13-6-4-12-10-14(7-5-11(12)9-13)18-15-3-1-2-8-17-15/h4-7,9-10,15H,1-3,8H2

InChIKey

HQVYJZNFRLOZIB-UHFFFAOYSA-N

Compound name

2-(6-bromonaphthalen-2-yl)oxyoxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 306.02554 Da
Monoisotopic Mass: 4.7
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]+	307.032816	163.8
[M+Na]+	329.014758	172.7
[M-H]-	305.018264	173.5
[M+NH4]+	324.059363	181.8
[M+K]+	344.988698	163.0
[M+H-H2O]+	289.022800	162.8
[M+HCOO]-	351.023741	180.4
[M+CH3COO]-	365.039391	177.0
[M+Na-2H]-	327.000206	171.1
[M]+	306.02499142	180.5
[M]-	306.02608858	180.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe