CID 53401071

(3,4,5-triiodophenyl)methanol

Structural Information

Molecular Formula
C7H5I3O
SMILES
C1=C(C=C(C(=C1I)I)I)CO
InChI
InChI=1S/C7H5I3O/c8-5-1-4(3-11)2-6(9)7(5)10/h1-2,11H,3H2
InChIKey
ZEMRYPUNHUWEPE-UHFFFAOYSA-N
Compound name
(3,4,5-triiodophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

485.7475 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.75478 150.0
[M+Na]+ 508.73672 138.8
[M-H]- 484.74022 139.9
[M+NH4]+ 503.78132 153.9
[M+K]+ 524.71066 152.3
[M+H-H2O]+ 468.74476 138.6
[M+HCOO]- 530.74570 155.4
[M+CH3COO]- 544.76135 217.3
[M+Na-2H]- 506.72217 136.0
[M]+ 485.74695 144.2
[M]- 485.74805 144.2
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