CID 86346495

2-chloro-4-iodo-5-methoxypyridine

Structural Information

Molecular Formula
C6H5ClINO
SMILES
COC1=CN=C(C=C1I)Cl
InChI
InChI=1S/C6H5ClINO/c1-10-5-3-9-6(7)2-4(5)8/h2-3H,1H3
InChIKey
LMRNHAIBJYZJKM-UHFFFAOYSA-N
Compound name
2-chloro-4-iodo-5-methoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

268.91043 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.91771 132.1
[M+Na]+ 291.89965 136.0
[M-H]- 267.90315 128.0
[M+NH4]+ 286.94425 148.0
[M+K]+ 307.87359 138.9
[M+H-H2O]+ 251.90769 123.5
[M+HCOO]- 313.90863 147.0
[M+CH3COO]- 327.92428 184.7
[M+Na-2H]- 289.88510 128.0
[M]+ 268.90988 132.9
[M]- 268.91098 132.9
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