CID 121232215

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

Structural Information

Molecular Formula
C5HBrF3IN2
SMILES
C1=C(C(=NC(=N1)I)C(F)(F)F)Br
InChI
InChI=1S/C5HBrF3IN2/c6-2-1-11-4(10)12-3(2)5(7,8)9/h1H
InChIKey
TZSYMGTYNWYVDP-UHFFFAOYSA-N
Compound name
5-bromo-2-iodo-4-(trifluoromethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

351.832 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.83928 142.7
[M+Na]+ 374.82122 150.2
[M-H]- 350.82472 137.2
[M+NH4]+ 369.86582 157.1
[M+K]+ 390.79516 144.6
[M+H-H2O]+ 334.82926 136.9
[M+HCOO]- 396.83020 154.5
[M+CH3COO]- 410.84585 195.8
[M+Na-2H]- 372.80667 140.0
[M]+ 351.83145 154.6
[M]- 351.83255 154.6
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