CID 72858

2,4-diiodophenol

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

267
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 138.4
[M+Na]+ 368.82439 132.9
[M-H]- 344.82789 129.4
[M+NH4]+ 363.86899 148.7
[M+K]+ 384.79833 142.7
[M+H-H2O]+ 328.83243 127.6
[M+HCOO]- 390.83337 150.3
[M+CH3COO]- 404.84902 195.0
[M+Na-2H]- 366.80984 127.1
[M]+ 345.83462 133.1
[M]- 345.83572 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