CID 11107815

4-(tert-butyldimethylsilyloxy)phenylboronic acid (contains varying amounts of anhydride)

Structural Information

Molecular Formula
C12H21BO3Si
SMILES
B(C1=CC=C(C=C1)O[Si](C)(C)C(C)(C)C)(O)O
InChI
InChI=1S/C12H21BO3Si/c1-12(2,3)17(4,5)16-11-8-6-10(7-9-11)13(14)15/h6-9,14-15H,1-5H3
InChIKey
NVHHEADQQACSCJ-UHFFFAOYSA-N
Compound name
[4-[tert-butyl(dimethyl)silyl]oxyphenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

467
Patents

252.1353 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.14258 156.3
[M+Na]+ 275.12452 162.2
[M-H]- 251.12802 157.2
[M+NH4]+ 270.16912 173.1
[M+K]+ 291.09846 160.6
[M+H-H2O]+ 235.13256 151.4
[M+HCOO]- 297.13350 172.7
[M+CH3COO]- 311.14915 189.1
[M+Na-2H]- 273.10997 160.8
[M]+ 252.13475 157.3
[M]- 252.13585 157.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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