CID 12164214

1-[2-(2-fluorophenyl)ethyl]-2,5-dihydro-1h-pyrrole-2,5-dione

Structural Information

Molecular Formula
C12H10FNO2
SMILES
C1=CC=C(C(=C1)CCN2C(=O)C=CC2=O)F
InChI
InChI=1S/C12H10FNO2/c13-10-4-2-1-3-9(10)7-8-14-11(15)5-6-12(14)16/h1-6H,7-8H2
InChIKey
WBFDEBZQIDMVBP-UHFFFAOYSA-N
Compound name
1-[2-(2-fluorophenyl)ethyl]pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.06955 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.07683 148.9
[M+Na]+ 242.05877 161.3
[M+NH4]+ 237.10337 156.1
[M+K]+ 258.03271 156.2
[M-H]- 218.06227 150.1
[M+Na-2H]- 240.04422 155.1
[M]+ 219.06900 150.8
[M]- 219.07010 150.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No patent data available for this compound.