CID 46739692

1004294-79-4

Structural Information

Molecular Formula
C14H19BO5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)O)C(=O)OC
InChI
InChI=1S/C14H19BO5/c1-13(2)14(3,4)20-15(19-13)10-6-9(12(17)18-5)7-11(16)8-10/h6-8,16H,1-5H3
InChIKey
CXTSTJMTRHANCB-UHFFFAOYSA-N
Compound name
methyl 3-hydroxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

278.13257 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.13985 158.5
[M+Na]+ 301.12179 169.6
[M+NH4]+ 296.16639 167.6
[M+K]+ 317.09573 164.4
[M-H]- 277.12529 162.5
[M+Na-2H]- 299.10724 164.6
[M]+ 278.13202 161.4
[M]- 278.13312 161.4
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