CID 71300240

1-(6-chloro-5-iodo-2-methylpyridin-3-yl)ethan-1-one

Structural Information

Molecular Formula
C8H7ClINO
SMILES
CC1=NC(=C(C=C1C(=O)C)I)Cl
InChI
InChI=1S/C8H7ClINO/c1-4-6(5(2)12)3-7(10)8(9)11-4/h3H,1-2H3
InChIKey
ZWYOGEKLSCZWQZ-UHFFFAOYSA-N
Compound name
1-(6-chloro-5-iodo-2-methylpyridin-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.9261 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.93338 138.2
[M+Na]+ 317.91532 142.2
[M-H]- 293.91882 134.4
[M+NH4]+ 312.95992 153.3
[M+K]+ 333.88926 144.6
[M+H-H2O]+ 277.92336 129.7
[M+HCOO]- 339.92430 151.8
[M+CH3COO]- 353.93995 191.4
[M+Na-2H]- 315.90077 131.4
[M]+ 294.92555 139.0
[M]- 294.92665 139.0
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.