CID 118828194

2-pyridinecarboxaldehyde, 4-bromo-5-chloro-

Structural Information

Molecular Formula
C6H3BrClNO
SMILES
C1=C(N=CC(=C1Br)Cl)C=O
InChI
InChI=1S/C6H3BrClNO/c7-5-1-4(3-10)9-2-6(5)8/h1-3H
InChIKey
CBTWGUQMNVUMOK-UHFFFAOYSA-N
Compound name
4-bromo-5-chloropyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.90865 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.915926 128.9
[M+Na]+ 241.897868 143.8
[M-H]- 217.901374 134.7
[M+NH4]+ 236.942473 151.1
[M+K]+ 257.871808 131.5
[M+H-H2O]+ 201.905910 130.1
[M+HCOO]- 263.906851 146.8
[M+CH3COO]- 277.922501 182.7
[M+Na-2H]- 239.883316 138.4
[M]+ 218.90810142 150.2
[M]- 218.90919858 150.2
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.