CID 46738675

1072951-81-5

Structural Information

Molecular Formula
C17H21BO3
SMILES
B(C1=CC=C(C=C1)C2=CC=C(C=C2)OCCC(C)C)(O)O
InChI
InChI=1S/C17H21BO3/c1-13(2)11-12-21-17-9-5-15(6-10-17)14-3-7-16(8-4-14)18(19)20/h3-10,13,19-20H,11-12H2,1-2H3
InChIKey
DCGWYEOALFPYHU-UHFFFAOYSA-N
Compound name
[4-[4-(3-methylbutoxy)phenyl]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

284.1584 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.16568 166.9
[M+Na]+ 307.14762 172.0
[M-H]- 283.15112 170.6
[M+NH4]+ 302.19222 181.1
[M+K]+ 323.12156 168.3
[M+H-H2O]+ 267.15566 159.4
[M+HCOO]- 329.15660 185.6
[M+CH3COO]- 343.17225 198.5
[M+Na-2H]- 305.13307 168.2
[M]+ 284.15785 167.4
[M]- 284.15895 167.4
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