CID 112947

Phenol, 2,6-diiodo-3,4-dimethyl-

Structural Information

Molecular Formula
C8H8I2O
SMILES
CC1=CC(=C(C(=C1C)I)O)I
InChI
InChI=1S/C8H8I2O/c1-4-3-6(9)8(11)7(10)5(4)2/h3,11H,1-2H3
InChIKey
KCDDWJSZNYLVEK-UHFFFAOYSA-N
Compound name
2,6-diiodo-3,4-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.86646 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.87374 142.8
[M+Na]+ 396.85568 138.2
[M-H]- 372.85918 134.3
[M+NH4]+ 391.90028 152.7
[M+K]+ 412.82962 147.6
[M+H-H2O]+ 356.86372 132.2
[M+HCOO]- 418.86466 154.2
[M+CH3COO]- 432.88031 201.6
[M+Na-2H]- 394.84113 129.8
[M]+ 373.86591 138.8
[M]- 373.86701 138.8
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

No patent data available for this compound.