CID 71306547

2-(2,3-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C14H21BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C(=CC=C2)C)C
InChI
InChI=1S/C14H21BO2/c1-10-8-7-9-12(11(10)2)15-16-13(3,4)14(5,6)17-15/h7-9H,1-6H3
InChIKey
JKDFOFHMRVPTMO-UHFFFAOYSA-N
Compound name
2-(2,3-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

232.16347 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.17075 146.8
[M+Na]+ 255.15269 157.0
[M-H]- 231.15619 156.0
[M+NH4]+ 250.19729 169.1
[M+K]+ 271.12663 157.1
[M+H-H2O]+ 215.16073 143.0
[M+HCOO]- 277.16167 167.7
[M+CH3COO]- 291.17732 193.1
[M+Na-2H]- 253.13814 152.2
[M]+ 232.16292 150.8
[M]- 232.16402 150.8
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