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

32
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 148.6
[M+Na]+ 308.92382 163.3
[M-H]- 284.92732 147.6
[M+NH4]+ 303.96842 167.3
[M+K]+ 324.89776 156.4
[M+H-H2O]+ 268.93186 141.3
[M+HCOO]- 330.93280 153.4
[M+CH3COO]- 344.94845 161.1
[M+Na-2H]- 306.90927 151.2
[M]+ 285.93405 152.6
[M]- 285.93515 152.6
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