CID 23574121

4-(10-phenylanthracen-9-yl)benzeneboronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

188
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

No literature data available for this compound.

Patent stripe

patents stripe