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]+ 308.865006 142.2
[M+Na]+ 330.846948 159.5
[M-H]- 306.850454 150.1
[M+NH4]+ 325.891553 163.0
[M+K]+ 346.820888 145.2
[M+H-H2O]+ 290.854990 143.4
[M+HCOO]- 352.855931 150.6
[M+CH3COO]- 366.871581 158.1
[M+Na-2H]- 328.832396 146.6
[M]+ 307.85718142 165.5
[M]- 307.85827858 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.