CID 55263674

2-(chloromethyl)-4-(trifluoromethyl)pyrimidine

Structural Information

Molecular Formula
C6H4ClF3N2
SMILES
C1=CN=C(N=C1C(F)(F)F)CCl
InChI
InChI=1S/C6H4ClF3N2/c7-3-5-11-2-1-4(12-5)6(8,9)10/h1-2H,3H2
InChIKey
CEVIJOALFRBIOW-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-4-(trifluoromethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.00151 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.00879 136.3
[M+Na]+ 218.99073 147.1
[M+NH4]+ 214.03533 142.2
[M+K]+ 234.96467 141.6
[M-H]- 194.99423 132.7
[M+Na-2H]- 216.97618 141.8
[M]+ 196.00096 136.9
[M]- 196.00206 136.9
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.