CID 122199553

2201133-24-4

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

296.09866 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.10594 159.1
[M+Na]+ 319.08788 169.7
[M-H]- 295.09138 168.2
[M+NH4]+ 314.13248 179.3
[M+K]+ 335.06182 168.9
[M+H-H2O]+ 279.09592 156.0
[M+HCOO]- 341.09686 174.9
[M+CH3COO]- 355.11251 200.5
[M+Na-2H]- 317.07333 163.1
[M]+ 296.09811 166.6
[M]- 296.09921 166.6
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