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]+ 216.95416 128.6
[M+Na]+ 238.93610 141.2
[M-H]- 214.93960 125.6
[M+NH4]+ 233.98070 146.2
[M+K]+ 254.91004 136.0
[M+H-H2O]+ 198.94414 120.8
[M+HCOO]- 260.94508 137.9
[M+CH3COO]- 274.96073 185.8
[M+Na-2H]- 236.92155 133.0
[M]+ 215.94633 128.0
[M]- 215.94743 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.