CID 11513987

93103-23-2

Structural Information

Molecular Formula
C10H9FN2S
SMILES
C1=CC(=CC=C1CC2=CNC(=S)N2)F
InChI
InChI=1S/C10H9FN2S/c11-8-3-1-7(2-4-8)5-9-6-12-10(14)13-9/h1-4,6H,5H2,(H2,12,13,14)
InChIKey
GWLZMGMUHBXVIM-UHFFFAOYSA-N
Compound name
4-[(4-fluorophenyl)methyl]-1,3-dihydroimidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

208.04704 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.054316 140.5
[M+Na]+ 231.036258 151.0
[M-H]- 207.039764 141.5
[M+NH4]+ 226.080863 158.2
[M+K]+ 247.010198 144.2
[M+H-H2O]+ 191.044300 133.1
[M+HCOO]- 253.045241 155.6
[M+CH3COO]- 267.060891 152.7
[M+Na-2H]- 229.021706 141.8
[M]+ 208.04649142 137.8
[M]- 208.04758858 137.8
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