CID 4589192

256383-45-6

Structural Information

Molecular Formula
C15H25BO2
SMILES
B(C1=CC=C(C=C1)CCCCCCCCC)(O)O
InChI
InChI=1S/C15H25BO2/c1-2-3-4-5-6-7-8-9-14-10-12-15(13-11-14)16(17)18/h10-13,17-18H,2-9H2,1H3
InChIKey
VONVJOGSLHAKOX-UHFFFAOYSA-N
Compound name
(4-nonylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

100
Patents

248.19476 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.20204 162.0
[M+Na]+ 271.18398 166.2
[M-H]- 247.18748 161.8
[M+NH4]+ 266.22858 178.0
[M+K]+ 287.15792 162.4
[M+H-H2O]+ 231.19202 155.6
[M+HCOO]- 293.19296 180.7
[M+CH3COO]- 307.20861 192.6
[M+Na-2H]- 269.16943 163.6
[M]+ 248.19421 163.2
[M]- 248.19531 163.2
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