CID 3075968

Diphenylsilylene 2,4-dihydroxybenzoate

Structural Information

Molecular Formula
C26H20O8Si
SMILES
C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=C(C=CC(=C3O)C(=O)O)O)C4=C(C=CC(=C4O)C(=O)O)O
InChI
InChI=1S/C26H20O8Si/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/h1-14,27-30H,(H,31,32)(H,33,34)
InChIKey
CFQBJQRWCFJFAQ-UHFFFAOYSA-N
Compound name
3-[(3-carboxy-2,6-dihydroxyphenyl)-diphenylsilyl]-2,4-dihydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.09274 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.10002 209.5
[M+Na]+ 511.08196 213.4
[M-H]- 487.08546 214.9
[M+NH4]+ 506.12656 211.8
[M+K]+ 527.05590 209.5
[M+H-H2O]+ 471.09000 199.5
[M+HCOO]- 533.09094 220.3
[M+CH3COO]- 547.10659 226.7
[M+Na-2H]- 509.06741 208.3
[M]+ 488.09219 207.3
[M]- 488.09329 207.3
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.