CID 82308797

4-(4-bromothiophen-2-yl)-2,6-dichloropyrimidine

Structural Information

Molecular Formula
C8H3BrCl2N2S
SMILES
C1=C(N=C(N=C1Cl)Cl)C2=CC(=CS2)Br
InChI
InChI=1S/C8H3BrCl2N2S/c9-4-1-6(14-3-4)5-2-7(10)13-8(11)12-5/h1-3H
InChIKey
ZDLDGVLKEXUALA-UHFFFAOYSA-N
Compound name
4-(4-bromothiophen-2-yl)-2,6-dichloropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.85773 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.86501 142.2
[M+Na]+ 330.84695 159.5
[M-H]- 306.85045 150.1
[M+NH4]+ 325.89155 163.0
[M+K]+ 346.82089 145.2
[M+H-H2O]+ 290.85499 143.4
[M+HCOO]- 352.85593 150.6
[M+CH3COO]- 366.87158 158.1
[M+Na-2H]- 328.83240 146.6
[M]+ 307.85718 165.5
[M]- 307.85828 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.