CID 73425002

2-amino-5-bromo-4-chloronicotinaldehyde

Structural Information

Molecular Formula
C6H4BrClN2O
SMILES
C1=C(C(=C(C(=N1)N)C=O)Cl)Br
InChI
InChI=1S/C6H4BrClN2O/c7-4-1-10-6(9)3(2-11)5(4)8/h1-2H,(H2,9,10)
InChIKey
ZRSNBTQHQIDBFH-UHFFFAOYSA-N
Compound name
2-amino-5-bromo-4-chloropyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

233.91956 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.92684 134.3
[M+Na]+ 256.90878 148.9
[M-H]- 232.91228 139.6
[M+NH4]+ 251.95338 155.4
[M+K]+ 272.88272 135.8
[M+H-H2O]+ 216.91682 134.7
[M+HCOO]- 278.91776 152.3
[M+CH3COO]- 292.93341 187.7
[M+Na-2H]- 254.89423 142.0
[M]+ 233.91901 154.0
[M]- 233.92011 154.0
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

patents stripe