CID 3075959

Diphenylsilylene 2-iodobenzoate

Structural Information

Molecular Formula
C26H18I2O4Si
SMILES
C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=CC=CC(=C3I)C(=O)O)C4=CC=CC(=C4I)C(=O)O
InChI
InChI=1S/C26H18I2O4Si/c27-23-19(25(29)30)13-7-15-21(23)33(17-9-3-1-4-10-17,18-11-5-2-6-12-18)22-16-8-14-20(24(22)28)26(31)32/h1-16H,(H,29,30)(H,31,32)
InChIKey
BHLHRXYBFKAQJN-UHFFFAOYSA-N
Compound name
3-[(3-carboxy-2-iodophenyl)-diphenylsilyl]-2-iodobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

675.9064 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 676.91368 235.7
[M+Na]+ 698.89562 233.5
[M+NH4]+ 693.94022 232.8
[M+K]+ 714.86956 232.4
[M-H]- 674.89912 229.4
[M+Na-2H]- 696.88107 221.9
[M]+ 675.90585 231.8
[M]- 675.90695 231.8
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.