CID 53302038

6-chloro-4-iodopyridin-3-ol

Structural Information

Molecular Formula
C5H3ClINO
SMILES
C1=C(C(=CN=C1Cl)O)I
InChI
InChI=1S/C5H3ClINO/c6-5-1-3(7)4(9)2-8-5/h1-2,9H
InChIKey
CXHOJLOLUDOQIT-UHFFFAOYSA-N
Compound name
6-chloro-4-iodopyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

175
Patents

254.89479 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.90207 128.9
[M+Na]+ 277.88401 132.7
[M-H]- 253.88751 123.7
[M+NH4]+ 272.92861 144.6
[M+K]+ 293.85795 135.1
[M+H-H2O]+ 237.89205 120.7
[M+HCOO]- 299.89299 142.6
[M+CH3COO]- 313.90864 179.4
[M+Na-2H]- 275.86946 124.7
[M]+ 254.89424 127.6
[M]- 254.89534 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