CID 23134192

741699-47-8

Structural Information

Molecular Formula
C14H21BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OCCO
InChI
InChI=1S/C14H21BO4/c1-13(2)14(3,4)19-15(18-13)11-5-7-12(8-6-11)17-10-9-16/h5-8,16H,9-10H2,1-4H3
InChIKey
SYFCCAMEIIUWCU-UHFFFAOYSA-N
Compound name
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

216
Patents

264.1533 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.16058 155.9
[M+Na]+ 287.14252 164.4
[M-H]- 263.14602 163.2
[M+NH4]+ 282.18712 175.6
[M+K]+ 303.11646 164.7
[M+H-H2O]+ 247.15056 151.6
[M+HCOO]- 309.15150 175.5
[M+CH3COO]- 323.16715 193.6
[M+Na-2H]- 285.12797 161.6
[M]+ 264.15275 160.5
[M]- 264.15385 160.5
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