CID 1051515

1-(4-hydroxy-3-iodophenyl)ethanone

Structural Information

Molecular Formula
C8H7IO2
SMILES
CC(=O)C1=CC(=C(C=C1)O)I
InChI
InChI=1S/C8H7IO2/c1-5(10)6-2-3-8(11)7(9)4-6/h2-4,11H,1H3
InChIKey
SJRAJHOOMLHHQN-UHFFFAOYSA-N
Compound name
1-(4-hydroxy-3-iodophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

261.94907 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.956346 139.1
[M+Na]+ 284.938288 140.9
[M-H]- 260.941794 135.1
[M+NH4]+ 279.982893 154.8
[M+K]+ 300.912228 144.9
[M+H-H2O]+ 244.946330 130.5
[M+HCOO]- 306.947271 156.8
[M+CH3COO]- 320.962921 183.7
[M+Na-2H]- 282.923736 132.1
[M]+ 261.94852142 136.6
[M]- 261.94961858 136.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe