CID 142472949

2252151-12-3

Structural Information

Molecular Formula
C16H19BO5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C=C(O3)C(=O)OC
InChI
InChI=1S/C16H19BO5/c1-15(2)16(3,4)22-17(21-15)11-7-6-10-8-13(14(18)19-5)20-12(10)9-11/h6-9H,1-5H3
InChIKey
PHKNSIQJKRTXLF-UHFFFAOYSA-N
Compound name
methyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

302.13257 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.13985 162.6
[M+Na]+ 325.12179 173.9
[M-H]- 301.12529 173.7
[M+NH4]+ 320.16639 183.0
[M+K]+ 341.09573 175.2
[M+H-H2O]+ 285.12983 159.7
[M+HCOO]- 347.13077 183.3
[M+CH3COO]- 361.14642 202.9
[M+Na-2H]- 323.10724 167.7
[M]+ 302.13202 171.8
[M]- 302.13312 171.8
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