CID 137940646

4-bromo-2-(difluoromethyl)-6-methylpyrimidine

Structural Information

Molecular Formula
C6H5BrF2N2
SMILES
CC1=CC(=NC(=N1)C(F)F)Br
InChI
InChI=1S/C6H5BrF2N2/c1-3-2-4(7)11-6(10-3)5(8)9/h2,5H,1H3
InChIKey
BXTLLCLXSIUAST-UHFFFAOYSA-N
Compound name
4-bromo-2-(difluoromethyl)-6-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

221.96042 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.96770 134.4
[M+Na]+ 244.94964 147.9
[M-H]- 220.95314 136.3
[M+NH4]+ 239.99424 154.3
[M+K]+ 260.92358 137.0
[M+H-H2O]+ 204.95768 132.5
[M+HCOO]- 266.95862 152.1
[M+CH3COO]- 280.97427 186.6
[M+Na-2H]- 242.93509 141.6
[M]+ 221.95987 150.9
[M]- 221.96097 150.9
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