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

46
Patents

261.94907 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.95635 140.8
[M+Na]+ 284.93829 145.9
[M+NH4]+ 279.98289 144.6
[M+K]+ 300.91223 143.6
[M-H]- 260.94179 135.9
[M+Na-2H]- 282.92374 134.2
[M]+ 261.94852 139.0
[M]- 261.94962 139.0
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