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]+ 195.03868 136.1
[M+Na]+ 217.02062 147.1
[M-H]- 193.02412 137.4
[M+NH4]+ 212.06522 154.4
[M+K]+ 232.99456 140.6
[M+H-H2O]+ 177.02866 129.0
[M+HCOO]- 239.02960 151.6
[M+CH3COO]- 253.04525 148.8
[M+Na-2H]- 215.00607 137.9
[M]+ 194.03085 133.1
[M]- 194.03195 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