CID 334203

2,4-dichloro-6-(trifluoromethyl)pyrimidine

Structural Information

Molecular Formula
C5HCl2F3N2
SMILES
C1=C(N=C(N=C1Cl)Cl)C(F)(F)F
InChI
InChI=1S/C5HCl2F3N2/c6-3-1-2(5(8,9)10)11-4(7)12-3/h1H
InChIKey
ZTNFYAJHLPMNSN-UHFFFAOYSA-N
Compound name
2,4-dichloro-6-(trifluoromethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

451
Patents

215.94688 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.95416 131.1
[M+Na]+ 238.93610 143.5
[M-H]- 214.93960 128.1
[M+NH4]+ 233.98070 148.6
[M+K]+ 254.91004 138.2
[M+H-H2O]+ 198.94414 123.3
[M+HCOO]- 260.94508 139.7
[M+CH3COO]- 274.96073 183.5
[M+Na-2H]- 236.92155 137.8
[M]+ 215.94633 130.0
[M]- 215.94743 130.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe