CID 67069104

2-(5-bromo-2-chlorophenyl)-1,3-dioxolane

Structural Information

Molecular Formula
C9H8BrClO2
SMILES
C1COC(O1)C2=C(C=CC(=C2)Br)Cl
InChI
InChI=1S/C9H8BrClO2/c10-6-1-2-8(11)7(5-6)9-12-3-4-13-9/h1-2,5,9H,3-4H2
InChIKey
YQUJVDQLMDGBLK-UHFFFAOYSA-N
Compound name
2-(5-bromo-2-chlorophenyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

261.9396 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.946876 150.1
[M+Na]+ 284.928818 162.8
[M-H]- 260.932324 160.6
[M+NH4]+ 279.973423 170.7
[M+K]+ 300.902758 153.1
[M+H-H2O]+ 244.936860 151.5
[M+HCOO]- 306.937801 165.7
[M+CH3COO]- 320.953451 165.8
[M+Na-2H]- 282.914266 156.8
[M]+ 261.93905142 170.7
[M]- 261.94014858 170.7
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