CID 10106127

4-iodo-2-methoxyphenol

Structural Information

Molecular Formula
C7H7IO2
SMILES
COC1=C(C=CC(=C1)I)O
InChI
InChI=1S/C7H7IO2/c1-10-7-4-5(8)2-3-6(7)9/h2-4,9H,1H3
InChIKey
KJXYWMSTOWBZHC-UHFFFAOYSA-N
Compound name
4-iodo-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

249.94908 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.95636 136.4
[M+Na]+ 272.93830 138.6
[M-H]- 248.94180 132.5
[M+NH4]+ 267.98290 152.7
[M+K]+ 288.91224 142.9
[M+H-H2O]+ 232.94634 127.8
[M+HCOO]- 294.94728 155.1
[M+CH3COO]- 308.96293 180.8
[M+Na-2H]- 270.92375 131.0
[M]+ 249.94853 134.8
[M]- 249.94963 134.8
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