CID 130746890

7-chloro-2-(2,2-difluoropropyl)-(1,3)thiazolo(5,4-d)pyrimidine

Structural Information

Molecular Formula
C8H6ClF2N3S
SMILES
CC(CC1=NC2=C(S1)N=CN=C2Cl)(F)F
InChI
InChI=1S/C8H6ClF2N3S/c1-8(10,11)2-4-14-5-6(9)12-3-13-7(5)15-4/h3H,2H2,1H3
InChIKey
ODYBOJOSYJPMJW-UHFFFAOYSA-N
Compound name
7-chloro-2-(2,2-difluoropropyl)-[1,3]thiazolo[5,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.9939 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.00118 147.6
[M+Na]+ 271.98312 160.0
[M+NH4]+ 267.02772 154.8
[M+K]+ 287.95706 153.5
[M-H]- 247.98662 145.4
[M+Na-2H]- 269.96857 152.4
[M]+ 248.99335 149.3
[M]- 248.99445 149.3
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.