CID 15458089

121554-18-5

Structural Information

Molecular Formula
C17H21BO2
SMILES
B(C1=CC=C(C=C1)C2=CC=C(C=C2)CCCCC)(O)O
InChI
InChI=1S/C17H21BO2/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)20/h6-13,19-20H,2-5H2,1H3
InChIKey
QRZCEXCQSFQDMG-UHFFFAOYSA-N
Compound name
[4-(4-pentylphenyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

268.16345 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.17073 164.8
[M+Na]+ 291.15267 178.4
[M+NH4]+ 286.19727 172.9
[M+K]+ 307.12661 170.6
[M-H]- 267.15617 168.7
[M+Na-2H]- 289.13812 172.7
[M]+ 268.16290 167.9
[M]- 268.16400 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

No literature data available for this compound.

Patent stripe

patents stripe