CID 165759217

1350994-89-6

Structural Information

Molecular Formula
C16H23BO5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(C(=O)OC)OC
InChI
InChI=1S/C16H23BO5/c1-15(2)16(3,4)22-17(21-15)12-9-7-11(8-10-12)13(19-5)14(18)20-6/h7-10,13H,1-6H3
InChIKey
DFYCNZLFYMZSAF-UHFFFAOYSA-N
Compound name
methyl 2-methoxy-2-[4-(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

306.16385 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.17113 166.1
[M+Na]+ 329.15307 173.8
[M-H]- 305.15657 174.6
[M+NH4]+ 324.19767 184.5
[M+K]+ 345.12701 175.7
[M+H-H2O]+ 289.16111 161.7
[M+HCOO]- 351.16205 184.9
[M+CH3COO]- 365.17770 204.6
[M+Na-2H]- 327.13852 169.1
[M]+ 306.16330 172.7
[M]- 306.16440 172.7
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.