CID 165981045

2248293-68-5

Structural Information

Molecular Formula
C12H8FNO4
SMILES
C1C(C1F)C(=O)ON2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C12H8FNO4/c13-9-5-8(9)12(17)18-14-10(15)6-3-1-2-4-7(6)11(14)16/h1-4,8-9H,5H2
InChIKey
VVYDPDLEYSLAAU-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) 2-fluorocyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.04373 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.05101 152.0
[M+Na]+ 272.03295 164.1
[M-H]- 248.03645 158.4
[M+NH4]+ 267.07755 166.1
[M+K]+ 288.00689 159.3
[M+H-H2O]+ 232.04099 144.9
[M+HCOO]- 294.04193 172.6
[M+CH3COO]- 308.05758 195.4
[M+Na-2H]- 270.01840 154.0
[M]+ 249.04318 156.0
[M]- 249.04428 156.0
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.