CID 72212808

1227603-42-0

Structural Information

Molecular Formula
C6H4BrNO2
SMILES
C1=C(C(=O)NC=C1Br)C=O
InChI
InChI=1S/C6H4BrNO2/c7-5-1-4(3-9)6(10)8-2-5/h1-3H,(H,8,10)
InChIKey
CNDLEYZYBXPMKV-UHFFFAOYSA-N
Compound name
5-bromo-2-oxo-1H-pyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

200.94254 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.949816 127.0
[M+Na]+ 223.931758 140.6
[M-H]- 199.935264 131.5
[M+NH4]+ 218.976363 148.2
[M+K]+ 239.905698 129.2
[M+H-H2O]+ 183.939800 127.4
[M+HCOO]- 245.940741 148.2
[M+CH3COO]- 259.956391 177.8
[M+Na-2H]- 221.917206 136.1
[M]+ 200.94199142 145.4
[M]- 200.94308858 145.4
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