CID 51066516

2-chloro-5-iodo-4-methylpyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

252.91553 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.92281 127.7
[M+Na]+ 275.90475 131.6
[M-H]- 251.90825 123.5
[M+NH4]+ 270.94935 144.2
[M+K]+ 291.87869 134.1
[M+H-H2O]+ 235.91279 119.2
[M+HCOO]- 297.91373 142.3
[M+CH3COO]- 311.92938 182.9
[M+Na-2H]- 273.89020 123.7
[M]+ 252.91498 127.1
[M]- 252.91608 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