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

36
Patents

252.91553 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.92281 129.9
[M+Na]+ 275.90475 137.7
[M+NH4]+ 270.94935 135.4
[M+K]+ 291.87869 133.6
[M-H]- 251.90825 126.3
[M+Na-2H]- 273.89020 126.0
[M]+ 252.91498 129.3
[M]- 252.91608 129.3
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