CID 22674373

4-chloro-2-(trifluoromethyl)thieno[3,2-d]pyrimidine

Structural Information

Molecular Formula
C7H2ClF3N2S
SMILES
C1=CSC2=C1N=C(N=C2Cl)C(F)(F)F
InChI
InChI=1S/C7H2ClF3N2S/c8-5-4-3(1-2-14-4)12-6(13-5)7(9,10)11/h1-2H
InChIKey
ZUEIVUWZCAKOPP-UHFFFAOYSA-N
Compound name
4-chloro-2-(trifluoromethyl)thieno[3,2-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

237.95793 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.96521 138.7
[M+Na]+ 260.94715 153.1
[M-H]- 236.95065 138.2
[M+NH4]+ 255.99175 158.8
[M+K]+ 276.92109 147.4
[M+H-H2O]+ 220.95519 131.0
[M+HCOO]- 282.95613 149.0
[M+CH3COO]- 296.97178 152.2
[M+Na-2H]- 258.93260 143.2
[M]+ 237.95738 141.2
[M]- 237.95848 141.2
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