CID 123285614

2-(3-ethyl-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C15H23BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)C)CC
InChI
InChI=1S/C15H23BO2/c1-7-12-10-13(9-8-11(12)2)16-17-14(3,4)15(5,6)18-16/h8-10H,7H2,1-6H3
InChIKey
QARPSEFKQGBXNI-UHFFFAOYSA-N
Compound name
2-(3-ethyl-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

246.17911 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.18639 151.5
[M+Na]+ 269.16833 161.3
[M-H]- 245.17183 160.5
[M+NH4]+ 264.21293 173.2
[M+K]+ 285.14227 161.1
[M+H-H2O]+ 229.17637 147.5
[M+HCOO]- 291.17731 172.0
[M+CH3COO]- 305.19296 196.1
[M+Na-2H]- 267.15378 156.4
[M]+ 246.17856 155.8
[M]- 246.17966 155.8
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