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 214.4
[M+Na]+ 582.94642 222.6
[M-H]- 558.94992 221.3
[M+NH4]+ 577.99102 219.6
[M+K]+ 598.92036 215.5
[M+H-H2O]+ 542.95446 206.9
[M+HCOO]- 604.95540 211.6
[M+CH3COO]- 618.97105 220.6
[M+Na-2H]- 580.93187 211.5
[M]+ 559.95665 219.2
[M]- 559.95775 219.2
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.