CID 25112575

624744-67-8

Structural Information

Molecular Formula
C40H33BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C4=CC=CC=C4C(=C3C=C2)C5=CC6=CC=CC=C6C=C5)C7=CC8=CC=CC=C8C=C7
InChI
InChI=1S/C40H33BO2/c1-39(2)40(3,4)43-41(42-39)32-21-22-35-36(25-32)38(31-20-18-27-12-6-8-14-29(27)24-31)34-16-10-9-15-33(34)37(35)30-19-17-26-11-5-7-13-28(26)23-30/h5-25H,1-4H3
InChIKey
VHILRXGSEHWEFX-UHFFFAOYSA-N
Compound name
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

556.2574 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 557.26468 241.7
[M+Na]+ 579.24662 265.5
[M+NH4]+ 574.29122 255.4
[M+K]+ 595.22056 248.8
[M-H]- 555.25012 257.5
[M+Na-2H]- 577.23207 254.3
[M]+ 556.25685 251.0
[M]- 556.25795 251.0
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

patents stripe