CID 13747810

1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine

Structural Information

Molecular Formula
C8H10F3N3S
SMILES
C1CN(CCN1)C2=NC(=CS2)C(F)(F)F
InChI
InChI=1S/C8H10F3N3S/c9-8(10,11)6-5-15-7(13-6)14-3-1-12-2-4-14/h5,12H,1-4H2
InChIKey
WKUALTYNBYXZGQ-UHFFFAOYSA-N
Compound name
2-piperazin-1-yl-4-(trifluoromethyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

237.05475 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.06203 146.6
[M+Na]+ 260.04397 154.4
[M-H]- 236.04747 143.9
[M+NH4]+ 255.08857 161.8
[M+K]+ 276.01791 150.1
[M+H-H2O]+ 220.05201 136.6
[M+HCOO]- 282.05295 154.4
[M+CH3COO]- 296.06860 183.4
[M+Na-2H]- 258.02942 146.6
[M]+ 237.05420 138.8
[M]- 237.05530 138.8
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