CID 58340473

905947-49-1

Structural Information

Molecular Formula
C26H19BO2
SMILES
B(C1=CC(=CC=C1)C2=C3C=CC=CC3=C(C4=CC=CC=C42)C5=CC=CC=C5)(O)O
InChI
InChI=1S/C26H19BO2/c28-27(29)20-12-8-11-19(17-20)26-23-15-6-4-13-21(23)25(18-9-2-1-3-10-18)22-14-5-7-16-24(22)26/h1-17,28-29H
InChIKey
XCQOCQGDWNJJIW-UHFFFAOYSA-N
Compound name
[3-(10-phenylanthracen-9-yl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

374.1478 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.15508 189.5
[M+Na]+ 397.13702 197.2
[M-H]- 373.14052 198.3
[M+NH4]+ 392.18162 201.2
[M+K]+ 413.11096 189.2
[M+H-H2O]+ 357.14506 179.1
[M+HCOO]- 419.14600 207.3
[M+CH3COO]- 433.16165 198.9
[M+Na-2H]- 395.12247 195.0
[M]+ 374.14725 188.6
[M]- 374.14835 188.6
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