CID 66521230

2-bromo-4-fluoropyrimidine

Structural Information

Molecular Formula
C4H2BrFN2
SMILES
C1=CN=C(N=C1F)Br
InChI
InChI=1S/C4H2BrFN2/c5-4-7-2-1-3(6)8-4/h1-2H
InChIKey
PVCLSPGQOWOTNQ-UHFFFAOYSA-N
Compound name
2-bromo-4-fluoropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

175.93854 Da
Monoisotopic Mass

1.7
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

No literature data available for this compound.

Patent stripe

patents stripe