CID 131468912

2,4-dichloro-6-(difluoromethyl)-5-fluoropyrimidine

Structural Information

Molecular Formula
C5HCl2F3N2
SMILES
C1(=C(N=C(N=C1Cl)Cl)C(F)F)F
InChI
InChI=1S/C5HCl2F3N2/c6-3-1(8)2(4(9)10)11-5(7)12-3/h4H
InChIKey
WRGDXJVRENYDQD-UHFFFAOYSA-N
Compound name
2,4-dichloro-6-(difluoromethyl)-5-fluoropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.94688 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.954156 128.6
[M+Na]+ 238.936098 141.2
[M-H]- 214.939604 125.6
[M+NH4]+ 233.980703 146.2
[M+K]+ 254.910038 136.0
[M+H-H2O]+ 198.944140 120.8
[M+HCOO]- 260.945081 137.9
[M+CH3COO]- 274.960731 185.8
[M+Na-2H]- 236.921546 133.0
[M]+ 215.94633142 128.0
[M]- 215.94742858 128.0
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.