CID 85520193

2'-chloro-5'-iodoacetophenone

Structural Information

Molecular Formula
C8H6ClIO
SMILES
CC(=O)C1=C(C=CC(=C1)I)Cl
InChI
InChI=1S/C8H6ClIO/c1-5(11)7-4-6(10)2-3-8(7)9/h2-4H,1H3
InChIKey
QSXGGXJWYFLCEQ-UHFFFAOYSA-N
Compound name
1-(2-chloro-5-iodophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

279.9152 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.92248 139.5
[M+Na]+ 302.90442 146.4
[M+NH4]+ 297.94902 144.5
[M+K]+ 318.87836 142.7
[M-H]- 278.90792 135.7
[M+Na-2H]- 300.88987 134.4
[M]+ 279.91465 138.7
[M]- 279.91575 138.7
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