CID 18779792

4-iodo-2-methoxybenzyl alcohol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

263.96472 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.971996 141.4
[M+Na]+ 286.953938 143.1
[M-H]- 262.957444 137.2
[M+NH4]+ 281.998543 157.1
[M+K]+ 302.927878 147.2
[M+H-H2O]+ 246.961980 132.6
[M+HCOO]- 308.962921 159.7
[M+CH3COO]- 322.978571 183.7
[M+Na-2H]- 284.939386 135.4
[M]+ 263.96417142 140.1
[M]- 263.96526858 140.1
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