CID 69246071

4-iodo-2-(propan-2-yl)phenol

Structural Information

Molecular Formula
C9H11IO
SMILES
CC(C)C1=C(C=CC(=C1)I)O
InChI
InChI=1S/C9H11IO/c1-6(2)8-5-7(10)3-4-9(8)11/h3-6,11H,1-2H3
InChIKey
FUQYYBFIAPRLIR-UHFFFAOYSA-N
Compound name
4-iodo-2-propan-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

261.98547 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.99275 141.8
[M+Na]+ 284.97469 147.1
[M+NH4]+ 280.01929 146.3
[M+K]+ 300.94863 144.2
[M-H]- 260.97819 137.6
[M+Na-2H]- 282.96014 135.6
[M]+ 261.98492 140.3
[M]- 261.98602 140.3
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