CID 104272505

2-(5-bromopyridin-2-yl)-4-chloropyrimidine

Structural Information

Molecular Formula
C9H5BrClN3
SMILES
C1=CC(=NC=C1Br)C2=NC=CC(=N2)Cl
InChI
InChI=1S/C9H5BrClN3/c10-6-1-2-7(13-5-6)9-12-4-3-8(11)14-9/h1-5H
InChIKey
GCSHUSAAIGDWQS-UHFFFAOYSA-N
Compound name
2-(5-bromopyridin-2-yl)-4-chloropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.93555 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.94283 141.7
[M+Na]+ 291.92477 156.1
[M-H]- 267.92827 147.4
[M+NH4]+ 286.96937 159.1
[M+K]+ 307.89871 142.9
[M+H-H2O]+ 251.93281 140.4
[M+HCOO]- 313.93375 157.1
[M+CH3COO]- 327.94940 156.6
[M+Na-2H]- 289.91022 152.1
[M]+ 268.93500 162.0
[M]- 268.93610 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.