CID 553534

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

Structural Information

Molecular Formula
C9H9BrO2
SMILES
C1COC(O1)C2=CC=CC=C2Br
InChI
InChI=1S/C9H9BrO2/c10-8-4-2-1-3-7(8)9-11-5-6-12-9/h1-4,9H,5-6H2
InChIKey
IWSGKSUCFVOWQU-UHFFFAOYSA-N
Compound name
2-(2-bromophenyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

255
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 143.6
[M+Na]+ 250.96781 154.4
[M-H]- 226.97131 153.9
[M+NH4]+ 246.01241 164.4
[M+K]+ 266.94175 146.9
[M+H-H2O]+ 210.97585 144.4
[M+HCOO]- 272.97679 163.7
[M+CH3COO]- 286.99244 159.4
[M+Na-2H]- 248.95326 151.4
[M]+ 227.97804 162.0
[M]- 227.97914 162.0
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

patents stripe