CID 2737475

17452-07-2

Structural Information

Molecular Formula
C9H7FN2S
SMILES
C1=CC(=CC=C1N2C=CNC2=S)F
InChI
InChI=1S/C9H7FN2S/c10-7-1-3-8(4-2-7)12-6-5-11-9(12)13/h1-6H,(H,11,13)
InChIKey
GWYZXHXGBADGGC-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)-1H-imidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

194.0314 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.03868 135.8
[M+Na]+ 217.02062 147.2
[M-H]- 193.02412 138.5
[M+NH4]+ 212.06522 154.8
[M+K]+ 232.99456 141.7
[M+H-H2O]+ 177.02866 128.4
[M+HCOO]- 239.02960 152.8
[M+CH3COO]- 253.04525 149.2
[M+Na-2H]- 215.00607 138.0
[M]+ 194.03085 134.7
[M]- 194.03195 134.7
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