CID 69201504

866625-02-7

Structural Information

Molecular Formula
C14H18BClO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)Cl)C(=O)OC
InChI
InChI=1S/C14H18BClO4/c1-13(2)14(3,4)20-15(19-13)11-7-6-9(16)8-10(11)12(17)18-5/h6-8H,1-5H3
InChIKey
DTQHAEYLCILHNJ-UHFFFAOYSA-N
Compound name
methyl 5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

296.09866 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.10594 160.3
[M+Na]+ 319.08788 173.2
[M+NH4]+ 314.13248 170.6
[M+K]+ 335.06182 166.4
[M-H]- 295.09138 165.3
[M+Na-2H]- 317.07333 167.6
[M]+ 296.09811 164.2
[M]- 296.09921 164.2
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