CID 23440125

2-chloro-4-iodopyridin-3-ol

Structural Information

Molecular Formula
C5H3ClINO
SMILES
C1=CN=C(C(=C1I)O)Cl
InChI
InChI=1S/C5H3ClINO/c6-5-4(9)3(7)1-2-8-5/h1-2,9H
InChIKey
XJKLBLXOJIBRNJ-UHFFFAOYSA-N
Compound name
2-chloro-4-iodopyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

254.89479 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.902066 128.9
[M+Na]+ 277.884008 132.7
[M-H]- 253.887514 123.7
[M+NH4]+ 272.928613 144.6
[M+K]+ 293.857948 135.1
[M+H-H2O]+ 237.892050 120.7
[M+HCOO]- 299.892991 142.6
[M+CH3COO]- 313.908641 179.4
[M+Na-2H]- 275.869456 124.7
[M]+ 254.89424142 127.6
[M]- 254.89533858 127.6
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