CID 15458089

4'-pentyl-4-biphenylboronic acid (contains varying amounts of anhydride)

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

32
Patents

268.16345 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.17073 163.6
[M+Na]+ 291.15267 169.1
[M-H]- 267.15617 167.2
[M+NH4]+ 286.19727 178.6
[M+K]+ 307.12661 164.3
[M+H-H2O]+ 251.16071 156.3
[M+HCOO]- 313.16165 183.1
[M+CH3COO]- 327.17730 195.5
[M+Na-2H]- 289.13812 166.1
[M]+ 268.16290 163.3
[M]- 268.16400 163.3
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