CID 122705829

7-chloro-2-(trifluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidine

Structural Information

Molecular Formula
C6HClF3N3S
SMILES
C1=NC2=C(C(=N1)Cl)N=C(S2)C(F)(F)F
InChI
InChI=1S/C6HClF3N3S/c7-3-2-4(12-1-11-3)14-5(13-2)6(8,9)10/h1H
InChIKey
PKIBXPRWWDIQAS-UHFFFAOYSA-N
Compound name
7-chloro-2-(trifluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.95319 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.96047 138.3
[M+Na]+ 261.94241 153.1
[M-H]- 237.94591 136.6
[M+NH4]+ 256.98701 157.0
[M+K]+ 277.91635 147.6
[M+H-H2O]+ 221.95045 130.0
[M+HCOO]- 283.95139 147.7
[M+CH3COO]- 297.96704 151.5
[M+Na-2H]- 259.92786 143.2
[M]+ 238.95264 140.9
[M]- 238.95374 140.9
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

No patent data available for this compound.