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

199
Patents

345.83517 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.842446 138.4
[M+Na]+ 368.824388 132.9
[M-H]- 344.827894 129.4
[M+NH4]+ 363.868993 148.7
[M+K]+ 384.798328 142.7
[M+H-H2O]+ 328.832430 127.6
[M+HCOO]- 390.833371 150.3
[M+CH3COO]- 404.849021 195.0
[M+Na-2H]- 366.809836 127.1
[M]+ 345.83462142 133.1
[M]- 345.83571858 133.1
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