CID 82127838

4-(4-fluorophenyl)-4-methyloxane-2,6-dione

Structural Information

Molecular Formula
C12H11FO3
SMILES
CC1(CC(=O)OC(=O)C1)C2=CC=C(C=C2)F
InChI
InChI=1S/C12H11FO3/c1-12(6-10(14)16-11(15)7-12)8-2-4-9(13)5-3-8/h2-5H,6-7H2,1H3
InChIKey
BYFSCKGKYBSJEP-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-4-methyloxane-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.06923 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.07651 143.7
[M+Na]+ 245.05845 152.6
[M-H]- 221.06195 150.3
[M+NH4]+ 240.10305 162.8
[M+K]+ 261.03239 151.2
[M+H-H2O]+ 205.06649 136.8
[M+HCOO]- 267.06743 163.6
[M+CH3COO]- 281.08308 187.2
[M+Na-2H]- 243.04390 149.4
[M]+ 222.06868 141.8
[M]- 222.06978 141.8
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.