CID 10405322

2,6-diiodophenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

362
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

literature stripe

Patent stripe

patents stripe