CID 11492460

876911-15-8

Structural Information

Molecular Formula

C₁₀H₁₁BrO₂

SMILES

CC1(OCC2=C(O1)C(=CC=C2)Br)C

InChI

InChI=1S/C10H11BrO2/c1-10(2)12-6-7-4-3-5-8(11)9(7)13-10/h3-5H,6H2,1-2H3

InChIKey

UOHNNAOIKXQJCE-UHFFFAOYSA-N

Compound name

8-bromo-2,2-dimethyl-4H-1,3-benzodioxine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 241.99425 Da
Monoisotopic Mass: 2.7
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]+	243.001526	143.7
[M+Na]+	264.983468	155.8
[M-H]-	240.986974	152.3
[M+NH4]+	260.028073	165.6
[M+K]+	280.957408	148.1
[M+H-H2O]+	224.991510	144.8
[M+HCOO]-	286.992451	161.2
[M+CH3COO]-	301.008101	188.6
[M+Na-2H]-	262.968916	154.6
[M]+	241.99370142	163.8
[M]-	241.99479858	163.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe