CID 58489416

1115639-92-3

Structural Information

Molecular Formula
C30H27BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C3=CC4=C(C=C3)C5=CC=CC=C5C6=CC=CC=C64
InChI
InChI=1S/C30H27BO2/c1-29(2)30(3,4)33-31(32-29)22-11-9-10-20(18-22)21-16-17-27-25-14-6-5-12-23(25)24-13-7-8-15-26(24)28(27)19-21/h5-19H,1-4H3
InChIKey
NZTBACVVLACPNL-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(3-triphenylen-2-ylphenyl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

175
Patents

430.21042 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.21770 208.8
[M+Na]+ 453.19964 220.1
[M-H]- 429.20314 223.1
[M+NH4]+ 448.24424 224.5
[M+K]+ 469.17358 214.6
[M+H-H2O]+ 413.20768 197.1
[M+HCOO]- 475.20862 225.0
[M+CH3COO]- 489.22427 219.4
[M+Na-2H]- 451.18509 212.0
[M]+ 430.20987 212.6
[M]- 430.21097 212.6
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