CID 54440255

5-bromo-2-chloro-4-fluoropyrimidine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

209.89957 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.90685 124.7
[M+Na]+ 232.88879 140.2
[M-H]- 208.89229 127.9
[M+NH4]+ 227.93339 146.0
[M+K]+ 248.86273 127.9
[M+H-H2O]+ 192.89683 124.5
[M+HCOO]- 254.89777 140.6
[M+CH3COO]- 268.91342 181.2
[M+Na-2H]- 230.87424 134.6
[M]+ 209.89902 143.9
[M]- 209.90012 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

patents stripe