CID 79515212

1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,4-dione

Structural Information

Molecular Formula
C11H8F3NO3
SMILES
C1C(=O)CN(C1=O)C2=CC=C(C=C2)OC(F)(F)F
InChI
InChI=1S/C11H8F3NO3/c12-11(13,14)18-9-3-1-7(2-4-9)15-6-8(16)5-10(15)17/h1-4H,5-6H2
InChIKey
WSAABNWLFCCJKP-UHFFFAOYSA-N
Compound name
1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.04562 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.05290 150.2
[M+Na]+ 282.03484 159.8
[M-H]- 258.03834 152.3
[M+NH4]+ 277.07944 167.5
[M+K]+ 298.00878 156.6
[M+H-H2O]+ 242.04288 141.2
[M+HCOO]- 304.04382 168.4
[M+CH3COO]- 318.05947 192.0
[M+Na-2H]- 280.02029 152.6
[M]+ 259.04507 146.8
[M]- 259.04617 146.8
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.