CID 11011647

223919-55-9

Structural Information

Molecular Formula
C16H21BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C2=CC=C(C=C2)C(=O)OC
InChI
InChI=1S/C16H21BO4/c1-15(2)16(3,4)21-17(20-15)11-10-12-6-8-13(9-7-12)14(18)19-5/h6-11H,1-5H3/b11-10+
InChIKey
HMVOEARLVYGSGX-ZHACJKMWSA-N
Compound name
methyl 4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

288.1533 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.16058 162.1
[M+Na]+ 311.14252 170.6
[M-H]- 287.14602 170.6
[M+NH4]+ 306.18712 181.4
[M+K]+ 327.11646 170.7
[M+H-H2O]+ 271.15056 157.7
[M+HCOO]- 333.15150 182.0
[M+CH3COO]- 347.16715 200.1
[M+Na-2H]- 309.12797 166.0
[M]+ 288.15275 167.1
[M]- 288.15385 167.1
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