CID 85959916

5-bromo-4-chloro-6-(difluoromethyl)pyrimidine

Structural Information

Molecular Formula
C5H2BrClF2N2
SMILES
C1=NC(=C(C(=N1)Cl)Br)C(F)F
InChI
InChI=1S/C5H2BrClF2N2/c6-2-3(5(8)9)10-1-11-4(2)7/h1,5H
InChIKey
PIUDIDXMSMQAIE-UHFFFAOYSA-N
Compound name
5-bromo-4-chloro-6-(difluoromethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

241.90579 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.91307 132.7
[M+Na]+ 264.89501 147.5
[M-H]- 240.89851 134.6
[M+NH4]+ 259.93961 152.6
[M+K]+ 280.86895 134.9
[M+H-H2O]+ 224.90305 131.5
[M+HCOO]- 286.90399 146.3
[M+CH3COO]- 300.91964 187.3
[M+Na-2H]- 262.88046 140.3
[M]+ 241.90524 150.6
[M]- 241.90634 150.6
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