CID 18387

3-amino-2,4,6-triiodobenzoic acid

Structural Information

Molecular Formula
C7H4I3NO2
SMILES
C1=C(C(=C(C(=C1I)N)I)C(=O)O)I
InChI
InChI=1S/C7H4I3NO2/c8-2-1-3(9)6(11)5(10)4(2)7(12)13/h1H,11H2,(H,12,13)
InChIKey
QMQFFHSJUJDRPG-UHFFFAOYSA-N
Compound name
3-amino-2,4,6-triiodobenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

263
Patents

514.7376 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.74488 169.3
[M+Na]+ 537.72682 158.9
[M+NH4]+ 532.77142 164.2
[M+K]+ 553.70076 163.9
[M-H]- 513.73032 155.9
[M+Na-2H]- 535.71227 150.3
[M]+ 514.73705 161.6
[M]- 514.73815 161.6
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