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 166.6
[M+Na]+ 327.17382 173.4
[M-H]- 303.17732 176.9
[M+NH4]+ 322.21842 184.6
[M+K]+ 343.14776 174.5
[M+H-H2O]+ 287.18186 161.6
[M+HCOO]- 349.18280 181.3
[M+CH3COO]- 363.19845 178.5
[M+Na-2H]- 325.15927 171.6
[M]+ 304.18405 166.6
[M]- 304.18515 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