CID 61272585

3-(4-fluorobenzoyl)oxolane

Structural Information

Molecular Formula
C11H11FO2
SMILES
C1COCC1C(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C11H11FO2/c12-10-3-1-8(2-4-10)11(13)9-5-6-14-7-9/h1-4,9H,5-7H2
InChIKey
IOFRFICMYSYLMT-UHFFFAOYSA-N
Compound name
(4-fluorophenyl)-(oxolan-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.07431 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.081586 139.3
[M+Na]+ 217.063528 146.1
[M-H]- 193.067034 145.2
[M+NH4]+ 212.108133 158.9
[M+K]+ 233.037468 145.0
[M+H-H2O]+ 177.071570 132.5
[M+HCOO]- 239.072511 160.3
[M+CH3COO]- 253.088161 181.4
[M+Na-2H]- 215.048976 142.9
[M]+ 194.07376142 136.7
[M]- 194.07485858 136.7
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.