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

39
Patents

200.94254 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.94982 127.0
[M+Na]+ 223.93176 140.6
[M-H]- 199.93526 131.5
[M+NH4]+ 218.97636 148.2
[M+K]+ 239.90570 129.2
[M+H-H2O]+ 183.93980 127.4
[M+HCOO]- 245.94074 148.2
[M+CH3COO]- 259.95639 177.8
[M+Na-2H]- 221.91721 136.1
[M]+ 200.94199 145.4
[M]- 200.94309 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