CID 132371652

2-(azetidin-3-yl)-4-(trifluoromethyl)pyrimidine hydrochloride

Structural Information

Molecular Formula
C8H8F3N3
SMILES
C1C(CN1)C2=NC=CC(=N2)C(F)(F)F
InChI
InChI=1S/C8H8F3N3/c9-8(10,11)6-1-2-13-7(14-6)5-3-12-4-5/h1-2,5,12H,3-4H2
InChIKey
VGESVYINJPDGAL-UHFFFAOYSA-N
Compound name
2-(azetidin-3-yl)-4-(trifluoromethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.06703 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.07431 147.3
[M+Na]+ 226.05625 152.6
[M+NH4]+ 221.10085 148.6
[M+K]+ 242.03019 149.4
[M-H]- 202.05975 141.5
[M+Na-2H]- 224.04170 149.6
[M]+ 203.06648 145.0
[M]- 203.06758 145.0
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.