CID 105462557

5-bromo-2-(difluoromethyl)pyrimidine

Structural Information

Molecular Formula
C5H3BrF2N2
SMILES
C1=C(C=NC(=N1)C(F)F)Br
InChI
InChI=1S/C5H3BrF2N2/c6-3-1-9-5(4(7)8)10-2-3/h1-2,4H
InChIKey
KFIKPTGPDSAJKD-UHFFFAOYSA-N
Compound name
5-bromo-2-(difluoromethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

207.94476 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.952036 130.2
[M+Na]+ 230.933978 143.2
[M-H]- 206.937484 131.9
[M+NH4]+ 225.978583 150.2
[M+K]+ 246.907918 132.5
[M+H-H2O]+ 190.942020 128.2
[M+HCOO]- 252.942961 148.2
[M+CH3COO]- 266.958611 182.7
[M+Na-2H]- 228.919426 138.6
[M]+ 207.94421142 146.0
[M]- 207.94530858 146.0
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