CID 125424395

2-[5-(bromomethyl)-2-methoxyphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C14H20BBrO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)CBr)OC
InChI
InChI=1S/C14H20BBrO3/c1-13(2)14(3,4)19-15(18-13)11-8-10(9-16)6-7-12(11)17-5/h6-8H,9H2,1-5H3
InChIKey
BDJMYOBPWARCTK-UHFFFAOYSA-N
Compound name
2-[5-(bromomethyl)-2-methoxyphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.06888 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.07616 163.0
[M+Na]+ 349.05810 175.6
[M-H]- 325.06160 174.1
[M+NH4]+ 344.10270 184.8
[M+K]+ 365.03204 167.8
[M+H-H2O]+ 309.06614 164.9
[M+HCOO]- 371.06708 181.6
[M+CH3COO]- 385.08273 204.1
[M+Na-2H]- 347.04355 169.2
[M]+ 326.06833 186.9
[M]- 326.06943 186.9
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

No patent data available for this compound.