CID 43160432

2-(4-bromobenzoyl)oxolane

Structural Information

Molecular Formula
C11H11BrO2
SMILES
C1CC(OC1)C(=O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C11H11BrO2/c12-9-5-3-8(4-6-9)11(13)10-2-1-7-14-10/h3-6,10H,1-2,7H2
InChIKey
CEVLFEZVQZEPFI-UHFFFAOYSA-N
Compound name
(4-bromophenyl)-(oxolan-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.99425 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.00153 149.8
[M+Na]+ 276.98347 152.4
[M+NH4]+ 272.02807 154.9
[M+K]+ 292.95741 154.0
[M-H]- 252.98697 152.5
[M+Na-2H]- 274.96892 152.8
[M]+ 253.99370 149.7
[M]- 253.99480 149.7
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

No patent data available for this compound.