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 131.7
[M+Na]+ 218.99073 142.7
[M-H]- 194.99423 128.9
[M+NH4]+ 214.03533 149.4
[M+K]+ 234.96467 138.4
[M+H-H2O]+ 178.99877 123.0
[M+HCOO]- 240.99971 145.1
[M+CH3COO]- 255.01536 180.6
[M+Na-2H]- 216.97618 139.3
[M]+ 196.00096 129.7
[M]- 196.00206 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.