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]+ 197.008786 131.7
[M+Na]+ 218.990728 142.7
[M-H]- 194.994234 128.9
[M+NH4]+ 214.035333 149.4
[M+K]+ 234.964668 138.4
[M+H-H2O]+ 178.998770 123.0
[M+HCOO]- 240.999711 145.1
[M+CH3COO]- 255.015361 180.6
[M+Na-2H]- 216.976176 139.3
[M]+ 196.00096142 129.7
[M]- 196.00205858 129.7
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.