CID 22631332

(4-iodo-3-methoxyphenyl)methanol

Structural Information

Molecular Formula
C8H9IO2
SMILES
COC1=C(C=CC(=C1)CO)I
InChI
InChI=1S/C8H9IO2/c1-11-8-4-6(5-10)2-3-7(8)9/h2-4,10H,5H2,1H3
InChIKey
HOPYAKZZCSYZBV-UHFFFAOYSA-N
Compound name
(4-iodo-3-methoxyphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

263.96472 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.97200 140.5
[M+Na]+ 286.95394 145.8
[M+NH4]+ 281.99854 144.7
[M+K]+ 302.92788 142.9
[M-H]- 262.95744 136.1
[M+Na-2H]- 284.93939 134.4
[M]+ 263.96417 138.9
[M]- 263.96527 138.9
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

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