CID 131630673

4-(6-bromopyridin-3-yl)-2,6-dichloropyrimidine

Structural Information

Molecular Formula
C9H4BrCl2N3
SMILES
C1=CC(=NC=C1C2=CC(=NC(=N2)Cl)Cl)Br
InChI
InChI=1S/C9H4BrCl2N3/c10-7-2-1-5(4-13-7)6-3-8(11)15-9(12)14-6/h1-4H
InChIKey
HDVYJMWPDCIGNH-UHFFFAOYSA-N
Compound name
4-(6-bromopyridin-3-yl)-2,6-dichloropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.89658 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.90386 145.1
[M+Na]+ 325.88580 160.7
[M-H]- 301.88930 150.2
[M+NH4]+ 320.93040 161.8
[M+K]+ 341.85974 146.4
[M+H-H2O]+ 285.89384 144.0
[M+HCOO]- 347.89478 155.4
[M+CH3COO]- 361.91043 159.5
[M+Na-2H]- 323.87125 154.0
[M]+ 302.89603 166.2
[M]- 302.89713 166.2
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.