CID 55990

Brn 1380867

Structural Information

Molecular Formula
C7H4I3NO3
SMILES
C1=C(C(=C(N=C1I)I)OCC(=O)O)I
InChI
InChI=1S/C7H4I3NO3/c8-3-1-4(9)11-7(10)6(3)14-2-5(12)13/h1H,2H2,(H,12,13)
InChIKey
YIVCLNFYUSHELQ-UHFFFAOYSA-N
Compound name
2-[(2,4,6-triiodo-3-pyridinyl)oxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

530.7325 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.73978 155.5
[M+Na]+ 553.72172 144.2
[M-H]- 529.72522 144.6
[M+NH4]+ 548.76632 157.4
[M+K]+ 569.69566 158.1
[M+H-H2O]+ 513.72976 143.3
[M+HCOO]- 575.73070 159.9
[M+CH3COO]- 589.74635 221.2
[M+Na-2H]- 551.70717 140.9
[M]+ 530.73195 150.8
[M]- 530.73305 150.8
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.