CID 224225

4-(triphenylsilyl)benzoic acid

Structural Information

Molecular Formula
C25H20O2Si
SMILES
C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)O
InChI
InChI=1S/C25H20O2Si/c26-25(27)20-16-18-24(19-17-20)28(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-19H,(H,26,27)
InChIKey
LJQYSJNYSWZJQV-UHFFFAOYSA-N
Compound name
4-triphenylsilylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

380.12326 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.13054 190.6
[M+Na]+ 403.11248 194.9
[M-H]- 379.11598 200.8
[M+NH4]+ 398.15708 200.3
[M+K]+ 419.08642 188.1
[M+H-H2O]+ 363.12052 179.9
[M+HCOO]- 425.12146 209.3
[M+CH3COO]- 439.13711 199.4
[M+Na-2H]- 401.09793 195.1
[M]+ 380.12271 187.4
[M]- 380.12381 187.4
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

patents stripe