CID 3075970

Benzoic acid, 3-iodo-, diphenylsilylene ester

Structural Information

Molecular Formula
C26H18I2O4Si
SMILES
C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=C(C=CC=C3I)C(=O)O)C4=C(C=CC=C4I)C(=O)O
InChI
InChI=1S/C26H18I2O4Si/c27-21-15-7-13-19(25(29)30)23(21)33(17-9-3-1-4-10-17,18-11-5-2-6-12-18)24-20(26(31)32)14-8-16-22(24)28/h1-16H,(H,29,30)(H,31,32)
InChIKey
OZIDCGJYAKFLFV-UHFFFAOYSA-N
Compound name
2-[(2-carboxy-6-iodophenyl)-diphenylsilyl]-3-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]+ 676.913676 236.3
[M+Na]+ 698.895618 226.3
[M-H]- 674.899124 230.8
[M+NH4]+ 693.940223 233.2
[M+K]+ 714.869558 232.4
[M+H-H2O]+ 658.903660 219.1
[M+HCOO]- 720.904601 240.3
[M+CH3COO]- 734.920251 240.1
[M+Na-2H]- 696.881066 217.9
[M]+ 675.90585142 228.5
[M]- 675.90694858 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.