CID 3022077

Brn 5519496

Structural Information

Molecular Formula
C9H7FN2S
SMILES
C1=CC=C(C(=C1)C2=CNC(=S)N2)F
InChI
InChI=1S/C9H7FN2S/c10-7-4-2-1-3-6(7)8-5-11-9(13)12-8/h1-5H,(H2,11,12,13)
InChIKey
COMZTUHLRQVPAK-UHFFFAOYSA-N
Compound name
4-(2-fluorophenyl)-1,3-dihydroimidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

194.0314 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.038676 136.1
[M+Na]+ 217.020618 147.1
[M-H]- 193.024124 137.4
[M+NH4]+ 212.065223 154.4
[M+K]+ 232.994558 140.6
[M+H-H2O]+ 177.028660 129.0
[M+HCOO]- 239.029601 151.6
[M+CH3COO]- 253.045251 148.8
[M+Na-2H]- 215.006066 137.9
[M]+ 194.03085142 133.1
[M]- 194.03194858 133.1
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