CID 258580

2,4,6-tribromopyrimidine

Structural Information

Molecular Formula
C4HBr3N2
SMILES
C1=C(N=C(N=C1Br)Br)Br
InChI
InChI=1S/C4HBr3N2/c5-2-1-3(6)9-4(7)8-2/h1H
InChIKey
AHEYFWKLKMOHCI-UHFFFAOYSA-N
Compound name
2,4,6-tribromopyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

273
Patents

313.76898 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.77626 120.8
[M+Na]+ 336.75820 130.3
[M-H]- 312.76170 125.5
[M+NH4]+ 331.80280 135.8
[M+K]+ 352.73214 115.6
[M+H-H2O]+ 296.76624 136.5
[M+HCOO]- 358.76718 131.5
[M+CH3COO]- 372.78283 215.2
[M+Na-2H]- 334.74365 129.4
[M]+ 313.76843 162.0
[M]- 313.76953 162.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe