CID 83854713

2,4-dichloro-6-(1,1-difluoroethyl)pyrimidine

Structural Information

Molecular Formula
C6H4Cl2F2N2
SMILES
CC(C1=CC(=NC(=N1)Cl)Cl)(F)F
InChI
InChI=1S/C6H4Cl2F2N2/c1-6(9,10)3-2-4(7)12-5(8)11-3/h2H,1H3
InChIKey
AZYZNBTXZQNJGY-UHFFFAOYSA-N
Compound name
2,4-dichloro-6-(1,1-difluoroethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

211.97195 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.97923 133.8
[M+Na]+ 234.96117 145.7
[M-H]- 210.96467 132.0
[M+NH4]+ 230.00577 151.5
[M+K]+ 250.93511 140.6
[M+H-H2O]+ 194.96921 126.7
[M+HCOO]- 256.97015 143.1
[M+CH3COO]- 270.98580 184.4
[M+Na-2H]- 232.94662 140.5
[M]+ 211.97140 134.2
[M]- 211.97250 134.2
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

patents stripe