CID 11414015

2-iodo-5-methoxyphenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

133
Patents

249.94908 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.95636 136.0
[M+Na]+ 272.93830 141.5
[M+NH4]+ 267.98290 140.3
[M+K]+ 288.91224 138.9
[M-H]- 248.94180 131.6
[M+Na-2H]- 270.92375 130.2
[M]+ 249.94853 134.4
[M]- 249.94963 134.4
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