CID 3075963

Diphenylsilylene 2,4-dibromobenzoate

Structural Information

Molecular Formula
C26H16Br4O4Si
SMILES
C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=C(C=CC(=C3Br)C(=O)O)Br)C4=C(C=CC(=C4Br)C(=O)O)Br
InChI
InChI=1S/C26H16Br4O4Si/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/h1-14H,(H,31,32)(H,33,34)
InChIKey
GRYPNIZHNQLTBW-UHFFFAOYSA-N
Compound name
2,4-dibromo-3-[(2,6-dibromo-3-carboxyphenyl)-diphenylsilyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

735.7551 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 736.76238 199.9
[M+Na]+ 758.74432 201.7
[M-H]- 734.74782 204.9
[M+NH4]+ 753.78892 204.4
[M+K]+ 774.71826 191.3
[M+H-H2O]+ 718.75236 216.5
[M+HCOO]- 780.75330 201.6
[M+CH3COO]- 794.76895 251.2
[M+Na-2H]- 756.72977 197.0
[M]+ 735.75455 236.7
[M]- 735.75565 236.7
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.