CID 45158668

915402-26-5

Structural Information

Molecular Formula
C9H7FN2O
SMILES
C1=CC(=CC=C1C2=CNC(=O)N2)F
InChI
InChI=1S/C9H7FN2O/c10-7-3-1-6(2-4-7)8-5-11-9(13)12-8/h1-5H,(H2,11,12,13)
InChIKey
BQXQFSPPZOFLRU-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-1,3-dihydroimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

178.05424 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.06152 133.0
[M+Na]+ 201.04346 143.2
[M-H]- 177.04696 134.0
[M+NH4]+ 196.08806 151.0
[M+K]+ 217.01740 138.0
[M+H-H2O]+ 161.05150 125.1
[M+HCOO]- 223.05244 153.6
[M+CH3COO]- 237.06809 146.0
[M+Na-2H]- 199.02891 138.3
[M]+ 178.05369 128.9
[M]- 178.05479 128.9
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

patents stripe