CID 112694471

3,5-dichloro-2-iodopyridine

Structural Information

Molecular Formula
C5H2Cl2IN
SMILES
C1=C(C=NC(=C1Cl)I)Cl
InChI
InChI=1S/C5H2Cl2IN/c6-3-1-4(7)5(8)9-2-3/h1-2H
InChIKey
FDHLQIBHWGBOBT-UHFFFAOYSA-N
Compound name
3,5-dichloro-2-iodopyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

272.8609 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.86818 126.7
[M+Na]+ 295.85012 131.3
[M-H]- 271.85362 122.0
[M+NH4]+ 290.89472 142.8
[M+K]+ 311.82406 132.6
[M+H-H2O]+ 255.85816 119.0
[M+HCOO]- 317.85910 136.8
[M+CH3COO]- 331.87475 184.6
[M+Na-2H]- 293.83557 122.8
[M]+ 272.86035 126.7
[M]- 272.86145 126.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe