CID 70944631

1260865-91-5

Structural Information

Molecular Formula
C32H31BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C32H31BO2/c1-31(2)32(3,4)35-33(34-31)28-22-20-27(21-23-28)30(26-18-12-7-13-19-26)29(24-14-8-5-9-15-24)25-16-10-6-11-17-25/h5-23H,1-4H3
InChIKey
XIPGCKFASRXQSN-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[4-(1,2,2-triphenylethenyl)phenyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

458.2417 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.24898 217.1
[M+Na]+ 481.23092 222.1
[M-H]- 457.23442 233.1
[M+NH4]+ 476.27552 227.1
[M+K]+ 497.20486 218.0
[M+H-H2O]+ 441.23896 205.8
[M+HCOO]- 503.23990 233.3
[M+CH3COO]- 517.25555 225.5
[M+Na-2H]- 479.21637 215.2
[M]+ 458.24115 216.0
[M]- 458.24225 216.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe