CID 90354797

1623766-76-6

Structural Information

Molecular Formula
C14H20BClO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)Cl)OCOC
InChI
InChI=1S/C14H20BClO4/c1-13(2)14(3,4)20-15(19-13)10-6-7-11(16)12(8-10)18-9-17-5/h6-8H,9H2,1-5H3
InChIKey
RBRFOAAPPNBTGE-UHFFFAOYSA-N
Compound name
2-[4-chloro-3-(methoxymethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

298.11432 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.12160 160.3
[M+Na]+ 321.10354 170.8
[M-H]- 297.10704 169.2
[M+NH4]+ 316.14814 180.5
[M+K]+ 337.07748 170.1
[M+H-H2O]+ 281.11158 156.7
[M+HCOO]- 343.11252 176.9
[M+CH3COO]- 357.12817 201.0
[M+Na-2H]- 319.08899 165.4
[M]+ 298.11377 169.1
[M]- 298.11487 169.1
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