CID 165942920

5-bromo-4-chloro-6-fluoropyrimidine

Structural Information

Molecular Formula
C4HBrClFN2
SMILES
C1=NC(=C(C(=N1)Cl)Br)F
InChI
InChI=1S/C4HBrClFN2/c5-2-3(6)8-1-9-4(2)7/h1H
InChIKey
JKAXUOASKGSMDL-UHFFFAOYSA-N
Compound name
5-bromo-4-chloro-6-fluoropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.89957 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.906846 124.7
[M+Na]+ 232.888788 140.2
[M-H]- 208.892294 127.9
[M+NH4]+ 227.933393 146.0
[M+K]+ 248.862728 127.9
[M+H-H2O]+ 192.896830 124.5
[M+HCOO]- 254.897771 140.6
[M+CH3COO]- 268.913421 181.2
[M+Na-2H]- 230.874236 134.6
[M]+ 209.89902142 143.9
[M]- 209.90011858 143.9
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.