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

10
Patents

194.0314 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.038676 135.8
[M+Na]+ 217.020618 147.2
[M-H]- 193.024124 138.5
[M+NH4]+ 212.065223 154.8
[M+K]+ 232.994558 141.7
[M+H-H2O]+ 177.028660 128.4
[M+HCOO]- 239.029601 152.8
[M+CH3COO]- 253.045251 149.2
[M+Na-2H]- 215.006066 138.0
[M]+ 194.03085142 134.7
[M]- 194.03194858 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

No literature data available for this compound.

Patent stripe

patents stripe