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

6
Patents

239.951 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.95828 139.8
[M+Na]+ 262.94022 154.1
[M-H]- 238.94372 140.7
[M+NH4]+ 257.98482 159.1
[M+K]+ 278.91416 142.6
[M+H-H2O]+ 222.94826 137.4
[M+HCOO]- 284.94920 155.9
[M+CH3COO]- 298.96485 188.1
[M+Na-2H]- 260.92567 147.9
[M]+ 239.95045 155.1
[M]- 239.95155 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