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]+ 305.19188 165.9
[M+Na]+ 327.17382 177.4
[M+NH4]+ 322.21842 177.8
[M+K]+ 343.14776 169.0
[M-H]- 303.17732 174.3
[M+Na-2H]- 325.15927 174.8
[M]+ 304.18405 170.5
[M]- 304.18515 170.5
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