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 164.9
[M+Na]+ 336.04540 172.8
[M-H]- 312.04890 167.7
[M+NH4]+ 331.09000 176.3
[M+K]+ 352.01934 172.5
[M+H-H2O]+ 296.05344 152.1
[M+HCOO]- 358.05438 179.4
[M+CH3COO]- 372.07003 204.5
[M+Na-2H]- 334.03085 166.8
[M]+ 313.05563 171.3
[M]- 313.05673 171.3
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.