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-bromo-2-pyridinyl)-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]+ 269.942826 141.7
[M+Na]+ 291.924768 156.1
[M-H]- 267.928274 147.4
[M+NH4]+ 286.969373 159.1
[M+K]+ 307.898708 142.9
[M+H-H2O]+ 251.932810 140.4
[M+HCOO]- 313.933751 157.1
[M+CH3COO]- 327.949401 156.6
[M+Na-2H]- 289.910216 152.1
[M]+ 268.93500142 162.0
[M]- 268.93609858 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.