CID 600690

5-bromo-2-fluoropyrimidine

Structural Information

Molecular Formula
C4H2BrFN2
SMILES
C1=C(C=NC(=N1)F)Br
InChI
InChI=1S/C4H2BrFN2/c5-3-1-7-4(6)8-2-3/h1-2H
InChIKey
CTWZYPZCDJKBRS-UHFFFAOYSA-N
Compound name
5-bromo-2-fluoropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

888
Patents

175.93854 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.94582 121.3
[M+Na]+ 198.92776 135.0
[M-H]- 174.93126 124.4
[M+NH4]+ 193.97236 142.8
[M+K]+ 214.90170 124.7
[M+H-H2O]+ 158.93580 120.5
[M+HCOO]- 220.93674 141.7
[M+CH3COO]- 234.95239 176.5
[M+Na-2H]- 196.91321 132.2
[M]+ 175.93799 138.6
[M]- 175.93909 138.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe