CID 87306

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

Structural Information

Molecular Formula
C9H9BrO2
SMILES
C1COC(O1)C2=CC(=CC=C2)Br
InChI
InChI=1S/C9H9BrO2/c10-8-3-1-2-7(6-8)9-11-4-5-12-9/h1-3,6,9H,4-5H2
InChIKey
VYPYKCPWNPPBBX-UHFFFAOYSA-N
Compound name
2-(3-bromophenyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

516
Patents

227.97859 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.98587 142.6
[M+Na]+ 250.96781 146.3
[M+NH4]+ 246.01241 148.3
[M+K]+ 266.94175 147.9
[M-H]- 226.97131 147.0
[M+Na-2H]- 248.95326 146.2
[M]+ 227.97804 143.3
[M]- 227.97914 143.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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