CID 91662823

4,6-dibromo-2-(bromomethyl)pyrimidine

Structural Information

Molecular Formula
C5H3Br3N2
SMILES
C1=C(N=C(N=C1Br)CBr)Br
InChI
InChI=1S/C5H3Br3N2/c6-2-5-9-3(7)1-4(8)10-5/h1H,2H2
InChIKey
GHSWTGRZCCFPJB-UHFFFAOYSA-N
Compound name
4,6-dibromo-2-(bromomethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.78464 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.79192 124.1
[M+Na]+ 350.77386 133.4
[M-H]- 326.77736 128.7
[M+NH4]+ 345.81846 138.7
[M+K]+ 366.74780 118.5
[M+H-H2O]+ 310.78190 139.6
[M+HCOO]- 372.78284 134.6
[M+CH3COO]- 386.79849 216.8
[M+Na-2H]- 348.75931 132.3
[M]+ 327.78409 165.5
[M]- 327.78519 165.5
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

No patent data available for this compound.