CID 893543

3-iodo-4-methoxybenzyl alcohol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
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 141.4
[M+Na]+ 286.95394 143.1
[M-H]- 262.95744 137.2
[M+NH4]+ 281.99854 157.1
[M+K]+ 302.92788 147.2
[M+H-H2O]+ 246.96198 132.6
[M+HCOO]- 308.96292 159.7
[M+CH3COO]- 322.97857 183.7
[M+Na-2H]- 284.93939 135.4
[M]+ 263.96417 140.1
[M]- 263.96527 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

literature stripe

Patent stripe

patents stripe