CID 3446554

3-(4-fluorophenyl)oxolane-2,5-dione

Structural Information

Molecular Formula
C10H7FO3
SMILES
C1C(C(=O)OC1=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C10H7FO3/c11-7-3-1-6(2-4-7)8-5-9(12)14-10(8)13/h1-4,8H,5H2
InChIKey
WARUQKOWYKHXOY-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)oxolane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

194.03792 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.04520 134.8
[M+Na]+ 217.02714 144.5
[M-H]- 193.03064 141.6
[M+NH4]+ 212.07174 155.0
[M+K]+ 233.00108 143.1
[M+H-H2O]+ 177.03518 128.6
[M+HCOO]- 239.03612 157.6
[M+CH3COO]- 253.05177 181.1
[M+Na-2H]- 215.01259 139.0
[M]+ 194.03737 134.1
[M]- 194.03847 134.1
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

patents stripe