CID 3075958

Diphenylsilylene 2,4-dichlorobenzoate

Structural Information

Molecular Formula
C26H16Cl4O4Si
SMILES
C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=C(C=CC(=C3Cl)C(=O)O)Cl)C4=C(C=CC(=C4Cl)C(=O)O)Cl
InChI
InChI=1S/C26H16Cl4O4Si/c27-19-13-11-17(25(31)32)21(29)23(19)35(15-7-3-1-4-8-15,16-9-5-2-6-10-16)24-20(28)14-12-18(22(24)30)26(33)34/h1-14H,(H,31,32)(H,33,34)
InChIKey
JFPSAVVBQVRKKV-UHFFFAOYSA-N
Compound name
3-[(3-carboxy-2,6-dichlorophenyl)-diphenylsilyl]-2,4-dichlorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

559.9572 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 560.96448 228.4
[M+Na]+ 582.94642 246.0
[M+NH4]+ 577.99102 234.9
[M+K]+ 598.92036 235.6
[M-H]- 558.94992 234.0
[M+Na-2H]- 580.93187 237.1
[M]+ 559.95665 233.9
[M]- 559.95775 233.9
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.