CID 21923902

2-methoxy-5-methoxycarbonylphenylboronic acid, pinacol ester

Structural Information

Molecular Formula
C15H21BO5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)C(=O)OC)OC
InChI
InChI=1S/C15H21BO5/c1-14(2)15(3,4)21-16(20-14)11-9-10(13(17)19-6)7-8-12(11)18-5/h7-9H,1-6H3
InChIKey
BFNCIPMAUSEQIE-UHFFFAOYSA-N
Compound name
methyl 4-methoxy-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

34
Patents

292.1482 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.15548 159.9
[M+Na]+ 315.13742 169.3
[M-H]- 291.14092 168.9
[M+NH4]+ 310.18202 179.3
[M+K]+ 331.11136 170.8
[M+H-H2O]+ 275.14546 155.9
[M+HCOO]- 337.14640 180.1
[M+CH3COO]- 351.16205 202.0
[M+Na-2H]- 313.12287 164.2
[M]+ 292.14765 167.3
[M]- 292.14875 167.3
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