CID 3002040

4-phenoxy-2-thiopyrimidine

Structural Information

Molecular Formula
C10H8N2OS
SMILES
C1=CC=C(C=C1)OC2=CC=NC(=S)N2
InChI
InChI=1S/C10H8N2OS/c14-10-11-7-6-9(12-10)13-8-4-2-1-3-5-8/h1-7H,(H,11,12,14)
InChIKey
KLLKFZXKXYWHFC-UHFFFAOYSA-N
Compound name
6-phenoxy-1H-pyrimidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

204.03574 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.04302 139.8
[M+Na]+ 227.02496 149.6
[M-H]- 203.02846 143.1
[M+NH4]+ 222.06956 156.1
[M+K]+ 242.99890 144.2
[M+H-H2O]+ 187.03300 132.3
[M+HCOO]- 249.03394 156.9
[M+CH3COO]- 263.04959 152.5
[M+Na-2H]- 225.01041 145.7
[M]+ 204.03519 140.0
[M]- 204.03629 140.0
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