CID 16217660

365564-07-4

Structural Information

Molecular Formula
C14H21BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)OC)OC
InChI
InChI=1S/C14H21BO4/c1-13(2)14(3,4)19-15(18-13)10-7-11(16-5)9-12(8-10)17-6/h7-9H,1-6H3
InChIKey
CZYHRTIJLUONKY-UHFFFAOYSA-N
Compound name
2-(3,5-dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

149
Patents

264.1533 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.16058 153.4
[M+Na]+ 287.14252 163.3
[M-H]- 263.14602 162.5
[M+NH4]+ 282.18712 174.1
[M+K]+ 303.11646 164.5
[M+H-H2O]+ 247.15056 149.3
[M+HCOO]- 309.15150 174.6
[M+CH3COO]- 323.16715 197.3
[M+Na-2H]- 285.12797 159.1
[M]+ 264.15275 160.3
[M]- 264.15385 160.3
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