CID 129952456

4-(chloromethyl)-6-methyl-2-(trifluoromethyl)pyrimidine

Structural Information

Molecular Formula
C7H6ClF3N2
SMILES
CC1=CC(=NC(=N1)C(F)(F)F)CCl
InChI
InChI=1S/C7H6ClF3N2/c1-4-2-5(3-8)13-6(12-4)7(9,10)11/h2H,3H2,1H3
InChIKey
FLGRXAIGCSQRIA-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-6-methyl-2-(trifluoromethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.01717 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.02445 136.3
[M+Na]+ 233.00639 147.8
[M-H]- 209.00989 133.8
[M+NH4]+ 228.05099 153.8
[M+K]+ 248.98033 143.3
[M+H-H2O]+ 193.01443 127.7
[M+HCOO]- 255.01537 149.4
[M+CH3COO]- 269.03102 184.8
[M+Na-2H]- 230.99184 142.6
[M]+ 210.01662 135.0
[M]- 210.01772 135.0
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.