CID 146049412

Methyl 2-(2-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate

Structural Information

Molecular Formula
C15H20BClO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C(=CC=C2)Cl)CC(=O)OC
InChI
InChI=1S/C15H20BClO4/c1-14(2)15(3,4)21-16(20-14)11-7-6-8-12(17)10(11)9-13(18)19-5/h6-8H,9H2,1-5H3
InChIKey
ZCXFNMGBXQNUAJ-UHFFFAOYSA-N
Compound name
methyl 2-[2-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.11432 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.12160 163.8
[M+Na]+ 333.10354 174.0
[M-H]- 309.10704 172.7
[M+NH4]+ 328.14814 183.4
[M+K]+ 349.07748 173.0
[M+H-H2O]+ 293.11158 160.5
[M+HCOO]- 355.11252 179.3
[M+CH3COO]- 369.12817 203.4
[M+Na-2H]- 331.08899 167.3
[M]+ 310.11377 171.6
[M]- 310.11487 171.6
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

No patent data available for this compound.