CID 11076301

(2-iodo-5-methoxyphenyl)methanol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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

No literature data available for this compound.

Patent stripe

patents stripe