CID 30801

Acetic acid, bis(p-iodophenyl)-

Structural Information

Molecular Formula
C14H10I2O2
SMILES
C1=CC(=CC=C1C(C2=CC=C(C=C2)I)C(=O)O)I
InChI
InChI=1S/C14H10I2O2/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13H,(H,17,18)
InChIKey
JJGVKAUMXWKKSI-UHFFFAOYSA-N
Compound name
2,2-bis(4-iodophenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.877 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.88428 174.0
[M+Na]+ 486.86622 166.2
[M-H]- 462.86972 166.3
[M+NH4]+ 481.91082 179.4
[M+K]+ 502.84016 174.5
[M+H-H2O]+ 446.87426 160.7
[M+HCOO]- 508.87520 183.1
[M+CH3COO]- 522.89085 212.7
[M+Na-2H]- 484.85167 158.7
[M]+ 463.87645 167.8
[M]- 463.87755 167.8
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.