CID 13072799

2-bromo-4-(3-fluorophenyl)pyrimidine

Structural Information

Molecular Formula
C10H6BrFN2
SMILES
C1=CC(=CC(=C1)F)C2=NC(=NC=C2)Br
InChI
InChI=1S/C10H6BrFN2/c11-10-13-5-4-9(14-10)7-2-1-3-8(12)6-7/h1-6H
InChIKey
XWEGVHOPWDFWER-UHFFFAOYSA-N
Compound name
2-bromo-4-(3-fluorophenyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.96983 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.97711 143.0
[M+Na]+ 274.95905 156.1
[M-H]- 250.96255 148.8
[M+NH4]+ 270.00365 161.3
[M+K]+ 290.93299 144.1
[M+H-H2O]+ 234.96709 141.0
[M+HCOO]- 296.96803 162.7
[M+CH3COO]- 310.98368 157.8
[M+Na-2H]- 272.94450 152.3
[M]+ 251.96928 160.3
[M]- 251.97038 160.3
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.