CID 154669091

4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]oxan-4-ol

Structural Information

Molecular Formula
C17H25BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C3(CCOCC3)O
InChI
InChI=1S/C17H25BO4/c1-15(2)16(3,4)22-18(21-15)14-7-5-6-13(12-14)17(19)8-10-20-11-9-17/h5-7,12,19H,8-11H2,1-4H3
InChIKey
HOWXDOGKPSNKKH-UHFFFAOYSA-N
Compound name
4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]oxan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

304.1846 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.191876 166.6
[M+Na]+ 327.173818 173.4
[M-H]- 303.177324 176.9
[M+NH4]+ 322.218423 184.6
[M+K]+ 343.147758 174.5
[M+H-H2O]+ 287.181860 161.6
[M+HCOO]- 349.182801 181.3
[M+CH3COO]- 363.198451 178.5
[M+Na-2H]- 325.159266 171.6
[M]+ 304.18405142 166.6
[M]- 304.18514858 166.6
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

patents stripe