CID 73425002

1466514-72-6

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

35
Patents

233.91956 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.926836 134.3
[M+Na]+ 256.908778 148.9
[M-H]- 232.912284 139.6
[M+NH4]+ 251.953383 155.4
[M+K]+ 272.882718 135.8
[M+H-H2O]+ 216.916820 134.7
[M+HCOO]- 278.917761 152.3
[M+CH3COO]- 292.933411 187.7
[M+Na-2H]- 254.894226 142.0
[M]+ 233.91901142 154.0
[M]- 233.92010858 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