CID 23439833

[2-(hydroxymethyl)-5-iodophenyl]methanol

Structural Information

Molecular Formula
C8H9IO2
SMILES
C1=CC(=C(C=C1I)CO)CO
InChI
InChI=1S/C8H9IO2/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3,10-11H,4-5H2
InChIKey
DOGQPBXIEAQLIH-UHFFFAOYSA-N
Compound name
[2-(hydroxymethyl)-4-iodophenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

263.96472 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.97200 141.4
[M+Na]+ 286.95394 146.2
[M+NH4]+ 281.99854 145.2
[M+K]+ 302.92788 143.5
[M-H]- 262.95744 136.4
[M+Na-2H]- 284.93939 134.7
[M]+ 263.96417 139.5
[M]- 263.96527 139.5
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