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

2
Patents

194.03792 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.045196 134.8
[M+Na]+ 217.027138 144.5
[M-H]- 193.030644 141.6
[M+NH4]+ 212.071743 155.0
[M+K]+ 233.001078 143.1
[M+H-H2O]+ 177.035180 128.6
[M+HCOO]- 239.036121 157.6
[M+CH3COO]- 253.051771 181.1
[M+Na-2H]- 215.012586 139.0
[M]+ 194.03737142 134.1
[M]- 194.03846858 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