CID 15505783

3,5-diiodophenol

Structural Information

Molecular Formula
C6H4I2O
SMILES
C1=C(C=C(C=C1I)I)O
InChI
InChI=1S/C6H4I2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
InChIKey
KYRNAIDRKAWDLJ-UHFFFAOYSA-N
Compound name
3,5-diiodophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

316
Patents

345.83517 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.84245 138.8
[M+Na]+ 368.82439 135.9
[M+NH4]+ 363.86899 138.6
[M+K]+ 384.79833 137.5
[M-H]- 344.82789 129.0
[M+Na-2H]- 366.80984 124.5
[M]+ 345.83462 133.7
[M]- 345.83572 133.7
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