CID 89042705

5-bromo-3-iodopyridine-2-carbaldehyde

Structural Information

Molecular Formula
C6H3BrINO
SMILES
C1=C(C=NC(=C1I)C=O)Br
InChI
InChI=1S/C6H3BrINO/c7-4-1-5(8)6(3-10)9-2-4/h1-3H
InChIKey
HYDPSUHTTRYVCM-UHFFFAOYSA-N
Compound name
5-bromo-3-iodopyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

310.84427 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.85155 136.3
[M+Na]+ 333.83349 142.9
[M-H]- 309.83699 135.2
[M+NH4]+ 328.87809 153.2
[M+K]+ 349.80743 138.2
[M+H-H2O]+ 293.84153 132.8
[M+HCOO]- 355.84247 153.4
[M+CH3COO]- 369.85812 190.0
[M+Na-2H]- 331.81894 134.0
[M]+ 310.84372 152.3
[M]- 310.84482 152.3
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