CID 58085475

922518-84-1

Structural Information

Molecular Formula
C30H27BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C=CC=CC3=C(C4=CC=CC=C24)C5=CC6=CC=CC=C6C=C5
InChI
InChI=1S/C30H27BO2/c1-29(2)30(3,4)33-31(32-29)28-25-15-9-7-13-23(25)27(24-14-8-10-16-26(24)28)22-18-17-20-11-5-6-12-21(20)19-22/h5-19H,1-4H3
InChIKey
PAWSGKQRXZYKPA-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(10-naphthalen-2-ylanthracen-9-yl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
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

No literature data available for this compound.

Patent stripe

patents stripe