CID 165729647

2248325-30-4

Structural Information

Molecular Formula
C14H10F3NO4
SMILES
C1CC(C1)(C(=O)ON2C(=O)C3=CC=CC=C3C2=O)C(F)(F)F
InChI
InChI=1S/C14H10F3NO4/c15-14(16,17)13(6-3-7-13)12(21)22-18-10(19)8-4-1-2-5-9(8)11(18)20/h1-2,4-5H,3,6-7H2
InChIKey
REGCZGPBRAMKMJ-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) 1-(trifluoromethyl)cyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.05618 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.06346 177.7
[M+Na]+ 336.04540 180.7
[M+NH4]+ 331.09000 179.0
[M+K]+ 352.01934 178.1
[M-H]- 312.04890 171.0
[M+Na-2H]- 334.03085 177.0
[M]+ 313.05563 174.7
[M]- 313.05673 174.7
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.