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

51
Patents

241.99425 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.00153 146.4
[M+Na]+ 264.98347 155.7
[M-H]- 240.98697 156.2
[M+NH4]+ 260.02807 164.8
[M+K]+ 280.95741 148.0
[M+H-H2O]+ 224.99151 146.3
[M+HCOO]- 286.99245 164.1
[M+CH3COO]- 301.00810 161.0
[M+Na-2H]- 262.96892 155.2
[M]+ 241.99370 163.1
[M]- 241.99480 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