CID 58769449

890042-13-4

Structural Information

Molecular Formula
C24H23BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C4=CC=CC=C4C5=CC=CC=C53
InChI
InChI=1S/C24H23BO2/c1-23(2)24(3,4)27-25(26-23)16-13-14-21-19-11-6-5-9-17(19)18-10-7-8-12-20(18)22(21)15-16/h5-15H,1-4H3
InChIKey
VXLBBSLCTFTKOE-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-triphenylen-2-yl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

428
Patents

354.1791 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.18638 185.2
[M+Na]+ 377.16832 197.2
[M-H]- 353.17182 196.9
[M+NH4]+ 372.21292 204.8
[M+K]+ 393.14226 192.8
[M+H-H2O]+ 337.17636 176.2
[M+HCOO]- 399.17730 202.7
[M+CH3COO]- 413.19295 197.6
[M+Na-2H]- 375.15377 191.2
[M]+ 354.17855 189.8
[M]- 354.17965 189.8
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