CID 3153602

1-(2-fluorophenyl)-1h-pyrrole-2,5-dione

Structural Information

Molecular Formula
C10H6FNO2
SMILES
C1=CC=C(C(=C1)N2C(=O)C=CC2=O)F
InChI
InChI=1S/C10H6FNO2/c11-7-3-1-2-4-8(7)12-9(13)5-6-10(12)14/h1-6H
InChIKey
XKQAFSGPGGEGPU-UHFFFAOYSA-N
Compound name
1-(2-fluorophenyl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

38
Patents

191.03825 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.045526 134.7
[M+Na]+ 214.027468 145.4
[M-H]- 190.030974 139.8
[M+NH4]+ 209.072073 155.0
[M+K]+ 230.001408 142.1
[M+H-H2O]+ 174.035510 127.3
[M+HCOO]- 236.036451 158.3
[M+CH3COO]- 250.052101 181.3
[M+Na-2H]- 212.012916 138.8
[M]+ 191.03770142 133.8
[M]- 191.03879858 133.8
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