CID 16460

4-amino-3,5-diiodobenzoic acid

Structural Information

Molecular Formula
C7H5I2NO2
SMILES
C1=C(C=C(C(=C1I)N)I)C(=O)O
InChI
InChI=1S/C7H5I2NO2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,10H2,(H,11,12)
InChIKey
WXTVPMWCUMEVSZ-UHFFFAOYSA-N
Compound name
4-amino-3,5-diiodobenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

309
Patents

388.84097 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.84825 154.4
[M+Na]+ 411.83019 148.4
[M-H]- 387.83369 145.3
[M+NH4]+ 406.87479 162.7
[M+K]+ 427.80413 157.9
[M+H-H2O]+ 371.83823 142.9
[M+HCOO]- 433.83917 165.5
[M+CH3COO]- 447.85482 203.3
[M+Na-2H]- 409.81564 139.7
[M]+ 388.84042 148.1
[M]- 388.84152 148.1
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.