CID 129949732

1289263-92-8

Structural Information

Molecular Formula
C6H3BrN2O3
SMILES
C1=C(C=NC(=C1[N+](=O)[O-])Br)C=O
InChI
InChI=1S/C6H3BrN2O3/c7-6-5(9(11)12)1-4(3-10)2-8-6/h1-3H
InChIKey
PKOUXUYOTGTLJT-UHFFFAOYSA-N
Compound name
6-bromo-5-nitropyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.9327 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.93998 135.2
[M+Na]+ 252.92192 147.7
[M-H]- 228.92542 141.0
[M+NH4]+ 247.96652 155.0
[M+K]+ 268.89586 133.5
[M+H-H2O]+ 212.92996 138.9
[M+HCOO]- 274.93090 158.5
[M+CH3COO]- 288.94655 180.2
[M+Na-2H]- 250.90737 145.6
[M]+ 229.93215 154.1
[M]- 229.93325 154.1
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

No patent data available for this compound.