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 144.2
[M+Na]+ 346.85392 149.8
[M-H]- 322.85742 144.2
[M+NH4]+ 341.89852 161.8
[M+K]+ 362.82786 145.1
[M+H-H2O]+ 306.86196 141.1
[M+HCOO]- 368.86290 160.9
[M+CH3COO]- 382.87855 193.8
[M+Na-2H]- 344.83937 139.5
[M]+ 323.86415 159.7
[M]- 323.86525 159.7
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