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-methyl-3-pyridinyl)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]+ 295.933376 138.2
[M+Na]+ 317.915318 142.2
[M-H]- 293.918824 134.4
[M+NH4]+ 312.959923 153.3
[M+K]+ 333.889258 144.6
[M+H-H2O]+ 277.923360 129.7
[M+HCOO]- 339.924301 151.8
[M+CH3COO]- 353.939951 191.4
[M+Na-2H]- 315.900766 131.4
[M]+ 294.92555142 139.0
[M]- 294.92664858 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.