CID 1474642

155957-43-0

Structural Information

Molecular Formula
C10H7FN2S
SMILES
C1=CC(=CC=C1C2=CC=NC(=S)N2)F
InChI
InChI=1S/C10H7FN2S/c11-8-3-1-7(2-4-8)9-5-6-12-10(14)13-9/h1-6H,(H,12,13,14)
InChIKey
IKNROSDVLWITKJ-UHFFFAOYSA-N
Compound name
6-(4-fluorophenyl)-1H-pyrimidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

14
Patents

206.0314 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.03868 138.4
[M+Na]+ 229.02062 149.3
[M-H]- 205.02412 140.7
[M+NH4]+ 224.06522 154.9
[M+K]+ 244.99456 142.8
[M+H-H2O]+ 189.02866 130.3
[M+HCOO]- 251.02960 154.2
[M+CH3COO]- 265.04525 151.0
[M+Na-2H]- 227.00607 143.0
[M]+ 206.03085 136.6
[M]- 206.03195 136.6
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