CID 4197864

4-hexylphenylboronic acid

Structural Information

Molecular Formula
C12H19BO2
SMILES
B(C1=CC=C(C=C1)CCCCCC)(O)O
InChI
InChI=1S/C12H19BO2/c1-2-3-4-5-6-11-7-9-12(10-8-11)13(14)15/h7-10,14-15H,2-6H2,1H3
InChIKey
CFYBKGAFWFRFRJ-UHFFFAOYSA-N
Compound name
(4-hexylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

190
Patents

206.14781 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.15509 148.2
[M+Na]+ 229.13703 153.7
[M-H]- 205.14053 148.6
[M+NH4]+ 224.18163 166.0
[M+K]+ 245.11097 150.6
[M+H-H2O]+ 189.14507 142.4
[M+HCOO]- 251.14601 167.9
[M+CH3COO]- 265.16166 183.6
[M+Na-2H]- 227.12248 151.5
[M]+ 206.14726 148.4
[M]- 206.14836 148.4
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