CID 2578185

2-chloro-1-(4-iodophenyl)ethan-1-one

Structural Information

Molecular Formula
C8H6ClIO
SMILES
C1=CC(=CC=C1C(=O)CCl)I
InChI
InChI=1S/C8H6ClIO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2
InChIKey
LJKQIBWZNUCGSG-UHFFFAOYSA-N
Compound name
2-chloro-1-(4-iodophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
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 138.4
[M+Na]+ 302.90442 140.6
[M-H]- 278.90792 135.1
[M+NH4]+ 297.94902 154.6
[M+K]+ 318.87836 142.9
[M+H-H2O]+ 262.91246 130.3
[M+HCOO]- 324.91340 153.0
[M+CH3COO]- 338.92905 186.8
[M+Na-2H]- 300.88987 132.5
[M]+ 279.91465 137.8
[M]- 279.91575 137.8
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