CID 68841653

5-bromo-4-methyl-2-(trifluoromethyl)pyrimidine

Structural Information

Molecular Formula
C6H4BrF3N2
SMILES
CC1=NC(=NC=C1Br)C(F)(F)F
InChI
InChI=1S/C6H4BrF3N2/c1-3-4(7)2-11-5(12-3)6(8,9)10/h2H,1H3
InChIKey
LPWIDWXNZMPLDJ-UHFFFAOYSA-N
Compound name
5-bromo-4-methyl-2-(trifluoromethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

239.951 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.958276 139.8
[M+Na]+ 262.940218 154.1
[M-H]- 238.943724 140.7
[M+NH4]+ 257.984823 159.1
[M+K]+ 278.914158 142.6
[M+H-H2O]+ 222.948260 137.4
[M+HCOO]- 284.949201 155.9
[M+CH3COO]- 298.964851 188.1
[M+Na-2H]- 260.925666 147.9
[M]+ 239.95045142 155.1
[M]- 239.95154858 155.1
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