CID 3075961

Diphenylsilylene 2-bromobenzoate

Structural Information

Molecular Formula
C26H18Br2O4Si
SMILES
C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=CC=CC(=C3Br)C(=O)O)C4=CC=CC(=C4Br)C(=O)O
InChI
InChI=1S/C26H18Br2O4Si/c27-23-19(25(29)30)13-7-15-21(23)33(17-9-3-1-4-10-17,18-11-5-2-6-12-18)22-16-8-14-20(24(22)28)26(31)32/h1-16H,(H,29,30)(H,31,32)
InChIKey
ZNZMNQXFOHBMES-UHFFFAOYSA-N
Compound name
2-bromo-3-[(2-bromo-3-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 211.2
[M+Na]+ 602.92332 216.4
[M-H]- 578.92682 221.5
[M+NH4]+ 597.96792 218.8
[M+K]+ 618.89726 202.1
[M+H-H2O]+ 562.93136 216.6
[M+HCOO]- 624.93230 220.6
[M+CH3COO]- 638.94795 237.7
[M+Na-2H]- 600.90877 211.7
[M]+ 579.93355 242.9
[M]- 579.93465 242.9
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.