CID 2737474

17452-26-5

Structural Information

Molecular Formula
C9H7FN2S
SMILES
C1=CC(=CC(=C1)F)N2C=CNC2=S
InChI
InChI=1S/C9H7FN2S/c10-7-2-1-3-8(6-7)12-5-4-11-9(12)13/h1-6H,(H,11,13)
InChIKey
BMCFCDCBHCVAIC-UHFFFAOYSA-N
Compound name
3-(3-fluorophenyl)-1H-imidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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 138.9
[M+Na]+ 217.02062 152.0
[M+NH4]+ 212.06522 147.2
[M+K]+ 232.99456 144.8
[M-H]- 193.02412 140.5
[M+Na-2H]- 215.00607 146.0
[M]+ 194.03085 141.6
[M]- 194.03195 141.6
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