CID 46739069

1072944-31-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

284.1584 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.16568 167.7
[M+Na]+ 307.14762 180.5
[M+NH4]+ 302.19222 175.1
[M+K]+ 323.12156 174.0
[M-H]- 283.15112 170.9
[M+Na-2H]- 305.13307 174.8
[M]+ 284.15785 170.4
[M]- 284.15895 170.4
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