CID 68967074

852110-33-9

Structural Information

Molecular Formula
C15H23BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2C(C)C
InChI
InChI=1S/C15H23BO2/c1-11(2)12-9-7-8-10-13(12)16-17-14(3,4)15(5,6)18-16/h7-11H,1-6H3
InChIKey
HKCNIDDNQNFPLW-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(2-propan-2-ylphenyl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

246.17911 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.18639 153.2
[M+Na]+ 269.16833 161.6
[M-H]- 245.17183 161.8
[M+NH4]+ 264.21293 174.4
[M+K]+ 285.14227 162.0
[M+H-H2O]+ 229.17637 149.0
[M+HCOO]- 291.17731 172.6
[M+CH3COO]- 305.19296 195.8
[M+Na-2H]- 267.15378 157.3
[M]+ 246.17856 156.4
[M]- 246.17966 156.4
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