CID 12065

4-hydroxy-3,5-diiodobenzoic acid

Structural Information

Molecular Formula
C7H4I2O3
SMILES
C1=C(C=C(C(=C1I)O)I)C(=O)O
InChI
InChI=1S/C7H4I2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12)
InChIKey
XREKTVACBXQCSB-UHFFFAOYSA-N
Compound name
4-hydroxy-3,5-diiodobenzoic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

2
References

138
Patents

389.82498 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.83226 150.2
[M+Na]+ 412.81420 144.6
[M-H]- 388.81770 140.5
[M+NH4]+ 407.85880 158.5
[M+K]+ 428.78814 154.2
[M+H-H2O]+ 372.82224 139.3
[M+HCOO]- 434.82318 160.2
[M+CH3COO]- 448.83883 199.5
[M+Na-2H]- 410.79965 136.2
[M]+ 389.82443 145.1
[M]- 389.82553 145.1
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.