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

32
Patents

261.9396 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.94688 150.1
[M+Na]+ 284.92882 162.8
[M-H]- 260.93232 160.6
[M+NH4]+ 279.97342 170.7
[M+K]+ 300.90276 153.1
[M+H-H2O]+ 244.93686 151.5
[M+HCOO]- 306.93780 165.7
[M+CH3COO]- 320.95345 165.8
[M+Na-2H]- 282.91427 156.8
[M]+ 261.93905 170.7
[M]- 261.94015 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