CID 50989199

2,5-dichloro-4-iodo-3-methoxypyridine

Structural Information

Molecular Formula
C6H4Cl2INO
SMILES
COC1=C(C(=CN=C1Cl)Cl)I
InChI
InChI=1S/C6H4Cl2INO/c1-11-5-4(9)3(7)2-10-6(5)8/h2H,1H3
InChIKey
QYJDLVDZZPZJAH-UHFFFAOYSA-N
Compound name
2,5-dichloro-4-iodo-3-methoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.87146 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.87874 134.6
[M+Na]+ 325.86068 139.7
[M-H]- 301.86418 130.2
[M+NH4]+ 320.90528 149.9
[M+K]+ 341.83462 141.3
[M+H-H2O]+ 285.86872 126.9
[M+HCOO]- 347.86966 144.7
[M+CH3COO]- 361.88531 190.2
[M+Na-2H]- 323.84613 129.5
[M]+ 302.87091 136.7
[M]- 302.87201 136.7
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

No patent data available for this compound.