CID 15812128

3-iodo-4-methoxyphenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
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 136.4
[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

No literature data available for this compound.

Patent stripe

patents stripe