CID 124120104

2,4-dichloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine

Structural Information

Molecular Formula
C8H3Cl2F3N2S
SMILES
C1=C(SC2=C1C(=NC(=N2)Cl)Cl)CC(F)(F)F
InChI
InChI=1S/C8H3Cl2F3N2S/c9-5-4-1-3(2-8(11,12)13)16-6(4)15-7(10)14-5/h1H,2H2
InChIKey
FEYZVLSTIGXTIY-UHFFFAOYSA-N
Compound name
2,4-dichloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

285.9346 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.94188 151.8
[M+Na]+ 308.92382 163.4
[M+NH4]+ 303.96842 158.6
[M+K]+ 324.89776 156.8
[M-H]- 284.92732 148.9
[M+Na-2H]- 306.90927 155.9
[M]+ 285.93405 153.4
[M]- 285.93515 153.4
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