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 151.8
[M+Na]+ 276.98347 161.7
[M-H]- 252.98697 161.3
[M+NH4]+ 272.02807 172.6
[M+K]+ 292.95741 152.5
[M+H-H2O]+ 236.99151 152.0
[M+HCOO]- 298.99245 171.4
[M+CH3COO]- 313.00810 188.9
[M+Na-2H]- 274.96892 156.6
[M]+ 253.99370 169.0
[M]- 253.99480 169.0
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.