CID 19821160

1-(2,2,2-trifluoroethyl)-2,5-dihydro-1h-pyrrole-2,5-dione

Structural Information

Molecular Formula
C6H4F3NO2
SMILES
C1=CC(=O)N(C1=O)CC(F)(F)F
InChI
InChI=1S/C6H4F3NO2/c7-6(8,9)3-10-4(11)1-2-5(10)12/h1-2H,3H2
InChIKey
IWRBOJITNPGNMD-UHFFFAOYSA-N
Compound name
1-(2,2,2-trifluoroethyl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

179.01941 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.026686 128.7
[M+Na]+ 202.008628 139.2
[M-H]- 178.012134 127.8
[M+NH4]+ 197.053233 149.5
[M+K]+ 217.982568 137.4
[M+H-H2O]+ 162.016670 121.3
[M+HCOO]- 224.017611 148.3
[M+CH3COO]- 238.033261 177.8
[M+Na-2H]- 199.994076 133.0
[M]+ 179.01886142 125.4
[M]- 179.01995858 125.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe