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 141.5
[M+Na]+ 226.05625 149.2
[M-H]- 202.05975 138.8
[M+NH4]+ 221.10085 149.5
[M+K]+ 242.03019 148.1
[M+H-H2O]+ 186.06429 126.0
[M+HCOO]- 248.06523 154.5
[M+CH3COO]- 262.08088 184.5
[M+Na-2H]- 224.04170 147.2
[M]+ 203.06648 142.9
[M]- 203.06758 142.9
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.