CID 86732277

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

Structural Information

Molecular Formula
C6H2ClF2N3S
SMILES
C1=NC2=C(C(=N1)Cl)N=C(S2)C(F)F
InChI
InChI=1S/C6H2ClF2N3S/c7-3-2-5(11-1-10-3)13-6(12-2)4(8)9/h1,4H
InChIKey
IHQNDGGDVOEBFB-UHFFFAOYSA-N
Compound name
7-chloro-2-(difluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

220.9626 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.96988 133.5
[M+Na]+ 243.95182 147.5
[M-H]- 219.95532 132.9
[M+NH4]+ 238.99642 152.8
[M+K]+ 259.92576 142.6
[M+H-H2O]+ 203.95986 125.7
[M+HCOO]- 265.96080 144.4
[M+CH3COO]- 279.97645 147.1
[M+Na-2H]- 241.93727 137.3
[M]+ 220.96205 137.2
[M]- 220.96315 137.2
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