CID 43541

61076-82-2

Structural Information

Molecular Formula
C12H13FN2OS
SMILES
CC(=O)N1CCN=C1SCC2=CC=C(C=C2)F
InChI
InChI=1S/C12H13FN2OS/c1-9(16)15-7-6-14-12(15)17-8-10-2-4-11(13)5-3-10/h2-5H,6-8H2,1H3
InChIKey
LADXNUMEZZVNNG-UHFFFAOYSA-N
Compound name
1-[2-[(4-fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

252.07326 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.08054 154.3
[M+Na]+ 275.06248 163.4
[M-H]- 251.06598 157.6
[M+NH4]+ 270.10708 171.5
[M+K]+ 291.03642 159.4
[M+H-H2O]+ 235.07052 146.0
[M+HCOO]- 297.07146 169.6
[M+CH3COO]- 311.08711 191.0
[M+Na-2H]- 273.04793 153.5
[M]+ 252.07271 155.3
[M]- 252.07381 155.3
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

No patent data available for this compound.