CID 71699986

1227588-49-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

218.90865 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.91593 133.2
[M+Na]+ 241.89787 138.8
[M+NH4]+ 236.94247 138.6
[M+K]+ 257.87181 137.9
[M-H]- 217.90137 133.6
[M+Na-2H]- 239.88332 137.9
[M]+ 218.90810 133.2
[M]- 218.90920 133.2
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

patents stripe