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]+ 222.967696 134.4
[M+Na]+ 244.949638 147.9
[M-H]- 220.953144 136.3
[M+NH4]+ 239.994243 154.3
[M+K]+ 260.923578 137.0
[M+H-H2O]+ 204.957680 132.5
[M+HCOO]- 266.958621 152.1
[M+CH3COO]- 280.974271 186.6
[M+Na-2H]- 242.935086 141.6
[M]+ 221.95987142 150.9
[M]- 221.96096858 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