CID 16217895

2,4-dibutoxyphenylboronic acid

Structural Information

Molecular Formula
C14H23BO4
SMILES
B(C1=C(C=C(C=C1)OCCCC)OCCCC)(O)O
InChI
InChI=1S/C14H23BO4/c1-3-5-9-18-12-7-8-13(15(16)17)14(11-12)19-10-6-4-2/h7-8,11,16-17H,3-6,9-10H2,1-2H3
InChIKey
RZGMDQYKUFKOMM-UHFFFAOYSA-N
Compound name
(2,4-dibutoxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

65
Patents

266.16895 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.17623 162.7
[M+Na]+ 289.15817 168.1
[M-H]- 265.16167 163.1
[M+NH4]+ 284.20277 178.2
[M+K]+ 305.13211 165.7
[M+H-H2O]+ 249.16621 156.2
[M+HCOO]- 311.16715 182.2
[M+CH3COO]- 325.18280 194.9
[M+Na-2H]- 287.14362 164.3
[M]+ 266.16840 166.9
[M]- 266.16950 166.9
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