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

460
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

literature stripe

Patent stripe

patents stripe