CID 213106

25500-61-2

Structural Information

Molecular Formula
C11H10I3NO3
SMILES
C1COCCN1C(=O)C2=C(C(=C(C=C2I)I)O)I
InChI
InChI=1S/C11H10I3NO3/c12-6-5-7(13)10(16)9(14)8(6)11(17)15-1-3-18-4-2-15/h5,16H,1-4H2
InChIKey
PKLDOFBVAUXPST-UHFFFAOYSA-N
Compound name
(3-hydroxy-2,4,6-triiodophenyl)-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

584.7795 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 585.78678 172.9
[M+Na]+ 607.76872 160.1
[M-H]- 583.77222 163.3
[M+NH4]+ 602.81332 172.3
[M+K]+ 623.74266 173.9
[M+H-H2O]+ 567.77676 159.6
[M+HCOO]- 629.77770 173.9
[M+CH3COO]- 643.79335 226.7
[M+Na-2H]- 605.75417 156.5
[M]+ 584.77895 165.3
[M]- 584.78005 165.3
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

No patent data available for this compound.