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]+ 255.001526 151.8
[M+Na]+ 276.983468 161.7
[M-H]- 252.986974 161.3
[M+NH4]+ 272.028073 172.6
[M+K]+ 292.957408 152.5
[M+H-H2O]+ 236.991510 152.0
[M+HCOO]- 298.992451 171.4
[M+CH3COO]- 313.008101 188.9
[M+Na-2H]- 274.968916 156.6
[M]+ 253.99370142 169.0
[M]- 253.99479858 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.