CID 23148600

[10-[4-(naphthalen-1-yl)phenyl]anthracen-9-yl]boronic acid (contains varying amounts of anhydride)

Structural Information

Molecular Formula
C30H21BO2
SMILES
B(C1=C2C=CC=CC2=C(C3=CC=CC=C13)C4=CC=C(C=C4)C5=CC=CC6=CC=CC=C65)(O)O
InChI
InChI=1S/C30H21BO2/c32-31(33)30-27-13-5-3-11-25(27)29(26-12-4-6-14-28(26)30)22-18-16-21(17-19-22)24-15-7-9-20-8-1-2-10-23(20)24/h1-19,32-33H
InChIKey
OFXAVYZQVCXGCX-UHFFFAOYSA-N
Compound name
[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

424.16345 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.17073 203.1
[M+Na]+ 447.15267 210.6
[M-H]- 423.15617 212.4
[M+NH4]+ 442.19727 213.3
[M+K]+ 463.12661 201.8
[M+H-H2O]+ 407.16071 191.3
[M+HCOO]- 469.16165 218.5
[M+CH3COO]- 483.17730 211.2
[M+Na-2H]- 445.13812 208.3
[M]+ 424.16290 202.1
[M]- 424.16400 202.1
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