CID 3075962

Diphenylsilylene 4-bromobenzoate

Structural Information

Molecular Formula
C26H18Br2O4Si
SMILES
C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=C(C=CC(=C3)Br)C(=O)O)C4=C(C=CC(=C4)Br)C(=O)O
InChI
InChI=1S/C26H18Br2O4Si/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/h1-16H,(H,29,30)(H,31,32)
InChIKey
VDCVXWYFVKBEOI-UHFFFAOYSA-N
Compound name
4-bromo-2-[(5-bromo-2-carboxyphenyl)-diphenylsilyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

579.9341 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 580.94138 197.5
[M+Na]+ 602.92332 194.1
[M+NH4]+ 597.96792 198.2
[M+K]+ 618.89726 199.1
[M-H]- 578.92682 200.7
[M+Na-2H]- 600.90877 200.6
[M]+ 579.93355 197.1
[M]- 579.93465 197.1
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.