CID 11358071

4'-pentyloxybiphenyl-4-boronic acid

Structural Information

Molecular Formula
C17H21BO3
SMILES
B(C1=CC=C(C=C1)C2=CC=C(C=C2)OCCCCC)(O)O
InChI
InChI=1S/C17H21BO3/c1-2-3-4-13-21-17-11-7-15(8-12-17)14-5-9-16(10-6-14)18(19)20/h5-12,19-20H,2-4,13H2,1H3
InChIKey
DBDYXLZXTNHAFI-UHFFFAOYSA-N
Compound name
[4-(4-pentoxyphenyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

284.1584 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.16568 166.8
[M+Na]+ 307.14762 172.2
[M-H]- 283.15112 170.4
[M+NH4]+ 302.19222 181.1
[M+K]+ 323.12156 168.0
[M+H-H2O]+ 267.15566 159.2
[M+HCOO]- 329.15660 186.5
[M+CH3COO]- 343.17225 197.6
[M+Na-2H]- 305.13307 169.3
[M]+ 284.15785 167.9
[M]- 284.15895 167.9
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