CID 15294369

4-chloro-2-(trifluoromethyl)pyrimidine

Structural Information

Molecular Formula
C5H2ClF3N2
SMILES
C1=CN=C(N=C1Cl)C(F)(F)F
InChI
InChI=1S/C5H2ClF3N2/c6-3-1-2-10-4(11-3)5(7,8)9/h1-2H
InChIKey
OVEGSCLVOXWLIV-UHFFFAOYSA-N
Compound name
4-chloro-2-(trifluoromethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

766
Patents

181.98586 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.99314 132.0
[M+Na]+ 204.97508 143.1
[M+NH4]+ 200.01968 138.1
[M+K]+ 220.94902 137.7
[M-H]- 180.97858 128.5
[M+Na-2H]- 202.96053 137.8
[M]+ 181.98531 132.6
[M]- 181.98641 132.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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