CID 11057881

37987-26-1

Structural Information

Molecular Formula
C7H6I2O2
SMILES
C1=C(C=C(C(=C1I)O)I)CO
InChI
InChI=1S/C7H6I2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,10-11H,3H2
InChIKey
VJXBYCZCWPIBRJ-UHFFFAOYSA-N
Compound name
4-(hydroxymethyl)-2,6-diiodophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

375.84573 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.853006 148.5
[M+Na]+ 398.834948 142.9
[M-H]- 374.838454 138.6
[M+NH4]+ 393.879553 157.3
[M+K]+ 414.808888 152.1
[M+H-H2O]+ 358.842990 137.6
[M+HCOO]- 420.843931 158.9
[M+CH3COO]- 434.859581 197.8
[M+Na-2H]- 396.820396 135.4
[M]+ 375.84518142 143.3
[M]- 375.84627858 143.3
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