CID 53400965

2,5-dichloro-4-iodopyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

243
Patents

272.8609 Da
Monoisotopic Mass

3.1
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

No literature data available for this compound.

Patent stripe

patents stripe