CID 91809565

1-(5-bromo-2-iodophenyl)ethanone

Structural Information

Molecular Formula
C8H6BrIO
SMILES
CC(=O)C1=C(C=CC(=C1)Br)I
InChI
InChI=1S/C8H6BrIO/c1-5(11)7-4-6(9)2-3-8(7)10/h2-4H,1H3
InChIKey
KXTYYQSRAGKUSX-UHFFFAOYSA-N
Compound name
1-(5-bromo-2-iodophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

323.8647 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.87198 144.0
[M+Na]+ 346.85392 142.0
[M+NH4]+ 341.89852 145.6
[M+K]+ 362.82786 144.3
[M-H]- 322.85742 139.4
[M+Na-2H]- 344.83937 137.1
[M]+ 323.86415 140.4
[M]- 323.86525 140.4
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