CID 21914471

2-(4-bromophenoxymethyl)oxolane

Structural Information

Molecular Formula

C₁₁H₁₃BrO₂

SMILES

C1CC(OC1)COC2=CC=C(C=C2)Br

InChI

InChI=1S/C11H13BrO2/c12-9-3-5-10(6-4-9)14-8-11-2-1-7-13-11/h3-6,11H,1-2,7-8H2

InChIKey

PEFDJYPDPZQVGC-UHFFFAOYSA-N

Compound name

2-[(4-bromophenoxy)methyl]oxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 256.0099 Da
Monoisotopic Mass: 3.0
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]+	257.017176	152.3
[M+Na]+	278.999118	162.2
[M-H]-	255.002624	161.6
[M+NH4]+	274.043723	173.2
[M+K]+	294.973058	153.2
[M+H-H2O]+	239.007160	152.4
[M+HCOO]-	301.008101	172.7
[M+CH3COO]-	315.023751	188.8
[M+Na-2H]-	276.984566	158.2
[M]+	256.00935142	170.7
[M]-	256.01044858	170.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe