CID 119006817

5,6-diiodosalicylic acid

Structural Information

Molecular Formula
C7H4I2O3
SMILES
C1=CC(=C(C(=C1O)C(=O)O)I)I
InChI
InChI=1S/C7H4I2O3/c8-3-1-2-4(10)5(6(3)9)7(11)12/h1-2,10H,(H,11,12)
InChIKey
XWMANVCPWUZJBN-UHFFFAOYSA-N
Compound name
6-hydroxy-2,3-diiodobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

389.82498 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.832256 150.2
[M+Na]+ 412.814198 144.6
[M-H]- 388.817704 140.5
[M+NH4]+ 407.858803 158.5
[M+K]+ 428.788138 154.2
[M+H-H2O]+ 372.822240 139.3
[M+HCOO]- 434.823181 160.2
[M+CH3COO]- 448.838831 199.5
[M+Na-2H]- 410.799646 136.2
[M]+ 389.82443142 145.1
[M]- 389.82552858 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

literature stripe

Patent stripe

patents stripe