CID 58930951

4-chloro-3-iodo-2-methylpyridine

Structural Information

Molecular Formula
C6H5ClIN
SMILES
CC1=NC=CC(=C1I)Cl
InChI
InChI=1S/C6H5ClIN/c1-4-6(8)5(7)2-3-9-4/h2-3H,1H3
InChIKey
JEMLCQSUDHMBIP-UHFFFAOYSA-N
Compound name
4-chloro-3-iodo-2-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

252.91553 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.922806 127.7
[M+Na]+ 275.904748 131.6
[M-H]- 251.908254 123.5
[M+NH4]+ 270.949353 144.2
[M+K]+ 291.878688 134.1
[M+H-H2O]+ 235.912790 119.2
[M+HCOO]- 297.913731 142.3
[M+CH3COO]- 311.929381 182.9
[M+Na-2H]- 273.890196 123.7
[M]+ 252.91498142 127.1
[M]- 252.91607858 127.1
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