CID 129532566

2,4,6-trichloro-5-(difluoromethyl)pyrimidine

Structural Information

Molecular Formula
C5HCl3F2N2
SMILES
C1(=C(N=C(N=C1Cl)Cl)Cl)C(F)F
InChI
InChI=1S/C5HCl3F2N2/c6-2-1(4(9)10)3(7)12-5(8)11-2/h4H
InChIKey
YJFQVMJPIJCYMF-UHFFFAOYSA-N
Compound name
2,4,6-trichloro-5-(difluoromethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.91734 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.92462 131.6
[M+Na]+ 254.90656 143.8
[M-H]- 230.91006 128.7
[M+NH4]+ 249.95116 148.5
[M+K]+ 270.88050 138.3
[M+H-H2O]+ 214.91460 125.2
[M+HCOO]- 276.91554 136.5
[M+CH3COO]- 290.93119 188.5
[M+Na-2H]- 252.89201 135.5
[M]+ 231.91679 132.1
[M]- 231.91789 132.1
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.