CID 123381638

1416243-42-9

Structural Information

Molecular Formula
C32H29BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C=CC=CC3=C(C4=CC=CC=C24)C5=CC=C(C=C5)C6=CC=CC=C6
InChI
InChI=1S/C32H29BO2/c1-31(2)32(3,4)35-33(34-31)30-27-16-10-8-14-25(27)29(26-15-9-11-17-28(26)30)24-20-18-23(19-21-24)22-12-6-5-7-13-22/h5-21H,1-4H3
InChIKey
HHEGEOFHHIOQQH-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[10-(4-phenylphenyl)anthracen-9-yl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

456.22607 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.23335 217.0
[M+Na]+ 479.21529 227.4
[M-H]- 455.21879 233.1
[M+NH4]+ 474.25989 230.2
[M+K]+ 495.18923 221.9
[M+H-H2O]+ 439.22333 204.5
[M+HCOO]- 501.22427 234.0
[M+CH3COO]- 515.23992 227.0
[M+Na-2H]- 477.20074 218.5
[M]+ 456.22552 220.1
[M]- 456.22662 220.1
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