CID 3075967

Diphenylsilylene 4-hydroxybenzoate

Structural Information

Molecular Formula
C26H20O6Si
SMILES
C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=C(C=CC(=C3)O)C(=O)O)C4=C(C=CC(=C4)O)C(=O)O
InChI
InChI=1S/C26H20O6Si/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/h1-16,27-28H,(H,29,30)(H,31,32)
InChIKey
YLEZKNYJBHJHBI-UHFFFAOYSA-N
Compound name
2-[(2-carboxy-5-hydroxyphenyl)-diphenylsilyl]-4-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

456.1029 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.11018 204.5
[M+Na]+ 479.09212 208.4
[M-H]- 455.09562 211.8
[M+NH4]+ 474.13672 209.2
[M+K]+ 495.06606 203.3
[M+H-H2O]+ 439.10016 194.2
[M+HCOO]- 501.10110 218.2
[M+CH3COO]- 515.11675 222.7
[M+Na-2H]- 477.07757 204.9
[M]+ 456.10235 202.0
[M]- 456.10345 202.0
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