CID 16217467

765908-38-1

Structural Information

Molecular Formula
C19H23BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C19H23BO3/c1-18(2)19(3,4)23-20(22-18)16-11-8-12-17(13-16)21-14-15-9-6-5-7-10-15/h5-13H,14H2,1-4H3
InChIKey
CMBBWFXLHUITFS-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(3-phenylmethoxyphenyl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

310.174 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.18128 170.5
[M+Na]+ 333.16322 178.9
[M-H]- 309.16672 182.1
[M+NH4]+ 328.20782 188.5
[M+K]+ 349.13716 178.0
[M+H-H2O]+ 293.17126 163.7
[M+HCOO]- 355.17220 191.2
[M+CH3COO]- 369.18785 204.7
[M+Na-2H]- 331.14867 175.2
[M]+ 310.17345 174.5
[M]- 310.17455 174.5
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

patents stripe