CID 10105815

2-(3-bromophenyl)-1,3-dioxane

Structural Information

Molecular Formula
C10H11BrO2
SMILES
C1COC(OC1)C2=CC(=CC=C2)Br
InChI
InChI=1S/C10H11BrO2/c11-9-4-1-3-8(7-9)10-12-5-2-6-13-10/h1,3-4,7,10H,2,5-6H2
InChIKey
JEMRRZJFAXMRKE-UHFFFAOYSA-N
Compound name
2-(3-bromophenyl)-1,3-dioxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

241.99425 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.001526 146.4
[M+Na]+ 264.983468 155.7
[M-H]- 240.986974 156.2
[M+NH4]+ 260.028073 164.8
[M+K]+ 280.957408 148.0
[M+H-H2O]+ 224.991510 146.3
[M+HCOO]- 286.992451 164.1
[M+CH3COO]- 301.008101 161.0
[M+Na-2H]- 262.968916 155.2
[M]+ 241.99370142 163.1
[M]- 241.99479858 163.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe