CID 11413643

325142-84-5

Structural Information

Molecular Formula
C13H19BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)OC
InChI
InChI=1S/C13H19BO3/c1-12(2)13(3,4)17-14(16-12)10-7-6-8-11(9-10)15-5/h6-9H,1-5H3
InChIKey
DMKREZLZDOSDQU-UHFFFAOYSA-N
Compound name
2-(3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

251
Patents

234.14273 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.15001 147.0
[M+Na]+ 257.13195 156.5
[M-H]- 233.13545 155.9
[M+NH4]+ 252.17655 168.7
[M+K]+ 273.10589 157.3
[M+H-H2O]+ 217.13999 142.8
[M+HCOO]- 279.14093 168.3
[M+CH3COO]- 293.15658 191.0
[M+Na-2H]- 255.11740 153.5
[M]+ 234.14218 151.6
[M]- 234.14328 151.6
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