CID 3075960

Diphenylsilylene 4-iodobenzoate

Structural Information

Molecular Formula
C26H18I2O4Si
SMILES
C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=C(C=CC(=C3)I)C(=O)O)C4=C(C=CC(=C4)I)C(=O)O
InChI
InChI=1S/C26H18I2O4Si/c27-17-11-13-21(25(29)30)23(15-17)33(19-7-3-1-4-8-19,20-9-5-2-6-10-20)24-16-18(28)12-14-22(24)26(31)32/h1-16H,(H,29,30)(H,31,32)
InChIKey
HNIVWWTYJZTNTJ-UHFFFAOYSA-N
Compound name
2-[(2-carboxy-5-iodophenyl)-diphenylsilyl]-4-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 236.3
[M+Na]+ 698.89562 226.3
[M-H]- 674.89912 230.8
[M+NH4]+ 693.94022 233.2
[M+K]+ 714.86956 232.4
[M+H-H2O]+ 658.90366 219.1
[M+HCOO]- 720.90460 240.3
[M+CH3COO]- 734.92025 240.1
[M+Na-2H]- 696.88107 217.9
[M]+ 675.90585 228.5
[M]- 675.90695 228.5
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.